REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1a72_1_A DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLWTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGAGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.586 174.600 -0.024 0.000 1.055 1 S CA 0.000 58.194 58.200 -0.011 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 T N -0.759 113.778 114.554 -0.028 0.000 3.254 2 T HA 0.623 4.994 4.350 0.034 0.000 0.267 2 T C 0.907 175.576 174.700 -0.051 0.000 0.946 2 T CA 0.677 62.743 62.100 -0.058 0.000 0.991 2 T CB -0.382 68.444 68.868 -0.071 0.000 1.205 2 T HN 1.126 nan 8.240 nan 0.000 0.494 3 A N 1.278 124.081 122.820 -0.028 0.000 2.608 3 A HA 0.422 4.763 4.320 0.034 0.000 0.239 3 A C 1.856 179.422 177.584 -0.029 0.000 1.018 3 A CA 0.946 52.969 52.037 -0.023 0.000 0.766 3 A CB -1.356 17.636 19.000 -0.013 0.000 0.928 3 A HN 1.955 nan 8.150 nan 0.000 0.512 4 G N 1.707 110.488 108.800 -0.032 0.000 2.189 4 G HA2 -0.269 3.711 3.960 0.034 0.000 0.267 4 G HA3 -0.269 3.711 3.960 0.034 0.000 0.267 4 G C 0.222 175.100 174.900 -0.037 0.000 0.975 4 G CA 1.167 46.247 45.100 -0.033 0.000 0.644 4 G HN 0.971 nan 8.290 nan 0.000 0.537 5 K N -0.450 119.922 120.400 -0.047 0.000 2.385 5 K HA 0.618 4.958 4.320 0.034 0.000 0.248 5 K C 0.015 176.576 176.600 -0.065 0.000 0.955 5 K CA -1.076 55.181 56.287 -0.050 0.000 0.816 5 K CB 2.818 35.290 32.500 -0.047 0.000 1.250 5 K HN -0.005 nan 8.250 nan 0.000 0.434 6 V N 3.721 123.603 119.914 -0.053 0.000 2.425 6 V HA 0.018 4.159 4.120 0.034 0.000 0.276 6 V C 0.293 176.341 176.094 -0.077 0.000 1.017 6 V CA 0.277 62.545 62.300 -0.052 0.000 1.062 6 V CB -0.731 31.076 31.823 -0.027 0.000 0.997 6 V HN 0.521 nan 8.190 nan 0.000 0.476 7 I N 5.669 126.166 120.570 -0.122 0.000 2.428 7 I HA 0.294 4.485 4.170 0.034 0.000 0.289 7 I C 0.581 176.635 176.117 -0.106 0.000 1.019 7 I CA -0.266 60.918 61.300 -0.193 0.000 1.351 7 I CB 0.730 38.466 38.000 -0.440 0.000 1.412 7 I HN 0.455 nan 8.210 nan 0.000 0.513 8 K N 6.158 126.509 120.400 -0.081 0.000 2.292 8 K HA 0.463 4.803 4.320 0.034 0.000 0.270 8 K C -0.865 175.738 176.600 0.006 0.000 1.062 8 K CA -0.422 55.858 56.287 -0.012 0.000 0.916 8 K CB 0.980 33.482 32.500 0.004 0.000 1.166 8 K HN 0.793 nan 8.250 nan 0.000 0.458 9 C N 0.310 119.641 119.300 0.052 0.000 3.259 9 C HA 0.564 5.044 4.460 0.034 0.000 0.328 9 C C -0.680 174.372 174.990 0.104 0.000 1.425 9 C CA -1.385 57.691 59.018 0.097 0.000 1.465 9 C CB 1.165 29.024 27.740 0.198 0.000 1.890 9 C HN 0.582 nan 8.230 nan 0.000 0.450 10 K N 0.916 121.384 120.400 0.113 0.000 2.118 10 K HA 0.764 5.104 4.320 0.034 0.000 0.267 10 K C -0.330 176.370 176.600 0.165 0.000 0.991 10 K CA 0.138 56.518 56.287 0.156 0.000 0.916 10 K CB 1.777 34.406 32.500 0.215 0.000 1.041 10 K HN 1.122 nan 8.250 nan 0.000 0.455 11 A N 0.700 123.675 122.820 0.258 0.000 2.605 11 A HA 0.587 4.927 4.320 0.034 0.000 0.294 11 A C -1.625 176.122 177.584 0.271 0.000 1.062 11 A CA -0.797 51.440 52.037 0.334 0.000 0.682 11 A CB 1.380 20.398 19.000 0.031 0.000 1.278 11 A HN 0.660 nan 8.150 nan 0.000 0.410 12 A N 0.873 123.835 122.820 0.236 0.000 2.347 12 A HA 0.571 4.912 4.320 0.034 0.000 0.287 12 A C -0.284 177.350 177.584 0.083 0.000 1.199 12 A CA -0.154 51.888 52.037 0.008 0.000 0.851 12 A CB -0.324 18.405 19.000 -0.452 0.000 1.118 12 A HN 1.369 nan 8.150 nan 0.000 0.525 13 V N 4.385 124.318 119.914 0.033 0.000 2.435 13 V HA 0.290 4.431 4.120 0.034 0.000 0.290 13 V C 0.086 176.038 176.094 -0.237 0.000 1.030 13 V CA -0.439 61.724 62.300 -0.228 0.000 0.881 13 V CB 1.563 33.041 31.823 -0.576 0.000 0.983 13 V HN 0.796 nan 8.190 nan 0.000 0.445 14 L N 4.521 125.589 121.223 -0.259 0.000 2.272 14 L HA 0.298 4.658 4.340 0.034 0.000 0.284 14 L C 0.197 176.898 176.870 -0.282 0.000 1.045 14 L CA -0.186 54.492 54.840 -0.269 0.000 0.842 14 L CB 0.849 42.755 42.059 -0.254 0.000 1.224 14 L HN 0.820 nan 8.230 nan 0.000 0.430 15 W N 2.532 123.798 121.300 -0.057 0.000 2.518 15 W HA -0.002 4.661 4.660 0.005 0.000 0.273 15 W C 0.525 177.023 176.519 -0.035 0.000 1.247 15 W CA -0.218 57.112 57.345 -0.025 0.000 1.288 15 W CB 0.396 29.842 29.460 -0.024 0.000 1.107 15 W HN 0.445 nan 8.180 nan 0.000 0.586 16 E N 0.308 120.583 120.200 0.125 0.000 2.375 16 E HA 0.106 4.476 4.350 0.034 0.000 0.280 16 E C -0.638 175.936 176.600 -0.044 0.000 0.972 16 E CA -0.991 55.435 56.400 0.044 0.000 0.782 16 E CB 1.008 30.745 29.700 0.061 0.000 1.229 16 E HN -0.093 nan 8.360 nan 0.000 0.439 17 E N 2.668 122.839 120.200 -0.049 0.000 2.442 17 E HA -0.036 4.334 4.350 0.034 0.000 0.262 17 E C -0.501 176.051 176.600 -0.080 0.000 1.004 17 E CA -0.119 56.234 56.400 -0.078 0.000 0.928 17 E CB 0.468 30.142 29.700 -0.044 0.000 0.937 17 E HN 0.692 nan 8.360 nan 0.000 0.446 18 K N 0.296 120.630 120.400 -0.110 0.000 3.251 18 K HA -0.110 4.230 4.320 0.034 0.000 0.282 18 K C -0.528 176.003 176.600 -0.115 0.000 1.201 18 K CA 0.685 56.914 56.287 -0.096 0.000 0.827 18 K CB -0.865 31.604 32.500 -0.052 0.000 1.286 18 K HN 0.452 nan 8.250 nan 0.000 0.503 19 K N -0.089 120.205 120.400 -0.176 0.000 2.426 19 K HA 0.488 4.828 4.320 0.034 0.000 0.251 19 K C -2.616 173.805 176.600 -0.297 0.000 0.941 19 K CA -2.301 53.885 56.287 -0.168 0.000 0.808 19 K CB 1.726 34.168 32.500 -0.096 0.000 1.265 19 K HN -0.242 nan 8.250 nan 0.000 0.432 20 P HA 0.209 nan 4.420 nan 0.000 0.274 20 P C -0.397 176.706 177.300 -0.328 0.000 1.260 20 P CA -0.225 62.706 63.100 -0.281 0.000 0.793 20 P CB 0.316 31.944 31.700 -0.119 0.000 1.048 21 F N -0.739 119.085 119.950 -0.211 0.000 2.380 21 F HA 0.272 4.809 4.527 0.017 0.000 0.325 21 F C 1.043 176.789 175.800 -0.090 0.000 1.136 21 F CA 0.483 58.372 58.000 -0.186 0.000 1.171 21 F CB 0.435 39.259 39.000 -0.294 0.000 1.230 21 F HN 0.053 nan 8.300 nan 0.000 0.554 22 S N 3.034 118.848 115.700 0.190 0.000 2.456 22 S HA 0.450 4.940 4.470 0.034 0.000 0.316 22 S C -0.507 174.178 174.600 0.141 0.000 1.089 22 S CA -0.620 57.691 58.200 0.184 0.000 1.101 22 S CB 0.707 64.120 63.200 0.356 0.000 0.995 22 S HN 0.221 nan 8.310 nan 0.000 0.468 23 I N 4.179 124.799 120.570 0.082 0.000 2.494 23 I HA 0.192 4.383 4.170 0.034 0.000 0.289 23 I C 0.609 176.812 176.117 0.143 0.000 1.106 23 I CA 0.196 61.550 61.300 0.091 0.000 1.369 23 I CB -0.488 37.546 38.000 0.058 0.000 1.410 23 I HN 0.516 nan 8.210 nan 0.000 0.523 24 E N 4.705 125.003 120.200 0.162 0.000 2.221 24 E HA 0.339 4.709 4.350 0.034 0.000 0.268 24 E C -0.537 176.147 176.600 0.140 0.000 0.933 24 E CA -0.924 55.579 56.400 0.171 0.000 0.809 24 E CB 1.823 31.644 29.700 0.201 0.000 1.190 24 E HN 0.342 nan 8.360 nan 0.000 0.406 25 E N 1.171 121.451 120.200 0.132 0.000 2.152 25 E HA 0.266 4.636 4.350 0.034 0.000 0.285 25 E C -0.644 176.021 176.600 0.107 0.000 1.043 25 E CA -0.384 56.080 56.400 0.107 0.000 0.839 25 E CB 0.666 30.421 29.700 0.091 0.000 1.069 25 E HN 0.322 nan 8.360 nan 0.000 0.399 26 V N 0.606 120.575 119.914 0.092 0.000 3.074 26 V HA 0.616 4.756 4.120 0.034 0.000 0.314 26 V C -0.568 175.587 176.094 0.103 0.000 1.117 26 V CA -0.879 61.476 62.300 0.093 0.000 1.014 26 V CB 2.101 33.949 31.823 0.042 0.000 1.057 26 V HN 0.579 nan 8.190 nan 0.000 0.438 27 E N 1.107 121.383 120.200 0.127 0.000 2.171 27 E HA 0.614 4.984 4.350 0.034 0.000 0.271 27 E C -1.431 175.268 176.600 0.165 0.000 0.916 27 E CA -0.798 55.663 56.400 0.103 0.000 0.774 27 E CB 2.459 32.205 29.700 0.076 0.000 1.128 27 E HN 0.616 nan 8.360 nan 0.000 0.403 28 V N 2.568 122.546 119.914 0.106 0.000 2.250 28 V HA 0.277 4.417 4.120 0.034 0.000 0.268 28 V C 0.372 176.453 176.094 -0.021 0.000 1.043 28 V CA -0.799 61.556 62.300 0.093 0.000 0.814 28 V CB 0.568 32.475 31.823 0.139 0.000 1.072 28 V HN 0.800 nan 8.190 nan 0.000 0.451 29 A N 7.824 130.620 122.820 -0.039 0.000 2.586 29 A HA 0.337 4.678 4.320 0.034 0.000 0.231 29 A C -1.489 176.057 177.584 -0.063 0.000 1.055 29 A CA -0.302 51.705 52.037 -0.049 0.000 0.756 29 A CB -0.256 18.715 19.000 -0.048 0.000 0.988 29 A HN 0.619 nan 8.150 nan 0.000 0.509 30 P HA 0.164 nan 4.420 nan 0.000 0.271 30 P C -2.740 174.528 177.300 -0.053 0.000 1.233 30 P CA -0.973 62.097 63.100 -0.050 0.000 0.789 30 P CB -0.217 31.456 31.700 -0.044 0.000 0.951 31 P HA 0.253 nan 4.420 nan 0.000 0.286 31 P C -0.164 177.103 177.300 -0.055 0.000 1.269 31 P CA -0.131 62.940 63.100 -0.048 0.000 0.787 31 P CB 1.235 32.914 31.700 -0.034 0.000 0.920 32 K N 1.694 122.058 120.400 -0.060 0.000 2.731 32 K HA 0.531 4.871 4.320 0.034 0.000 0.284 32 K C 0.570 177.111 176.600 -0.099 0.000 1.027 32 K CA -0.746 55.500 56.287 -0.068 0.000 1.040 32 K CB 0.073 32.538 32.500 -0.057 0.000 1.334 32 K HN 0.472 nan 8.250 nan 0.000 0.498 33 A N 1.561 124.302 122.820 -0.132 0.000 2.520 33 A HA 0.015 4.355 4.320 0.034 0.000 0.245 33 A C -0.246 177.183 177.584 -0.258 0.000 1.072 33 A CA 0.220 52.082 52.037 -0.293 0.000 0.761 33 A CB -0.550 18.277 19.000 -0.289 0.000 1.004 33 A HN 0.847 nan 8.150 nan 0.000 0.499 34 H N -0.182 118.874 119.070 -0.023 0.000 2.862 34 H HA -0.125 4.451 4.556 0.033 0.000 0.290 34 H C -0.062 175.249 175.328 -0.028 0.000 1.211 34 H CA 1.550 57.584 56.048 -0.024 0.000 1.140 34 H CB -1.659 28.088 29.762 -0.025 0.000 1.341 34 H HN 0.891 nan 8.280 nan 0.000 0.392 35 E N -0.285 119.922 120.200 0.013 0.000 2.299 35 E HA 0.705 5.075 4.350 0.034 0.000 0.265 35 E C -0.372 176.229 176.600 0.000 0.000 0.911 35 E CA -1.031 55.371 56.400 0.003 0.000 0.789 35 E CB 3.057 32.742 29.700 -0.025 0.000 1.246 35 E HN -0.031 nan 8.360 nan 0.000 0.427 36 V N 2.005 121.924 119.914 0.008 0.000 2.623 36 V HA 0.312 4.452 4.120 0.034 0.000 0.304 36 V C -0.671 175.435 176.094 0.021 0.000 1.054 36 V CA -0.696 61.612 62.300 0.013 0.000 0.882 36 V CB 1.918 33.753 31.823 0.019 0.000 1.002 36 V HN 0.522 nan 8.190 nan 0.000 0.424 37 R N 5.344 125.859 120.500 0.025 0.000 2.207 37 R HA 0.622 4.982 4.340 0.034 0.000 0.334 37 R C -0.991 175.350 176.300 0.069 0.000 1.013 37 R CA -0.351 55.779 56.100 0.051 0.000 0.858 37 R CB 0.672 31.003 30.300 0.052 0.000 1.094 37 R HN 0.688 nan 8.270 nan 0.000 0.457 38 I N 3.074 123.678 120.570 0.056 0.000 2.566 38 I HA 0.289 4.479 4.170 0.034 0.000 0.303 38 I C 0.258 176.319 176.117 -0.093 0.000 0.983 38 I CA -0.677 60.623 61.300 -0.001 0.000 1.235 38 I CB 1.536 39.523 38.000 -0.021 0.000 1.386 38 I HN 0.339 nan 8.210 nan 0.000 0.494 39 K N 6.064 126.338 120.400 -0.210 0.000 2.292 39 K HA 0.358 4.698 4.320 0.034 0.000 0.270 39 K C -0.742 175.579 176.600 -0.465 0.000 1.062 39 K CA -0.700 55.273 56.287 -0.524 0.000 0.916 39 K CB 0.671 32.937 32.500 -0.390 0.000 1.166 39 K HN 0.518 nan 8.250 nan 0.000 0.458 40 M N 4.079 123.284 119.600 -0.657 0.000 2.238 40 M HA -0.005 4.495 4.480 0.034 0.000 0.350 40 M C 0.828 176.817 176.300 -0.519 0.000 1.321 40 M CA 0.228 55.137 55.300 -0.652 0.000 1.097 40 M CB 1.057 32.969 32.600 -1.147 0.000 1.713 40 M HN 0.422 nan 8.290 nan 0.000 0.455 41 V N 2.041 121.893 119.914 -0.104 0.000 3.048 41 V HA 0.367 4.507 4.120 0.034 0.000 0.241 41 V C 0.522 176.808 176.094 0.320 0.000 1.129 41 V CA 0.841 63.187 62.300 0.076 0.000 1.128 41 V CB 0.686 32.522 31.823 0.023 0.000 0.849 41 V HN 0.932 nan 8.190 nan 0.000 0.475 42 A N -1.021 121.990 122.820 0.318 0.000 2.566 42 A HA 0.703 5.043 4.320 0.034 0.000 0.297 42 A C -0.736 177.018 177.584 0.284 0.000 1.059 42 A CA -0.109 52.097 52.037 0.282 0.000 0.691 42 A CB 1.984 21.058 19.000 0.124 0.000 1.282 42 A HN -0.001 nan 8.150 nan 0.000 0.401 43 T N 0.513 115.223 114.554 0.260 0.000 2.952 43 T HA 0.661 5.031 4.350 0.034 0.000 0.305 43 T C 0.194 174.986 174.700 0.153 0.000 1.064 43 T CA 0.378 62.631 62.100 0.255 0.000 1.008 43 T CB 1.204 70.351 68.868 0.465 0.000 1.078 43 T HN 1.690 nan 8.240 nan 0.000 0.459 44 G N 2.808 111.665 108.800 0.095 0.000 2.502 44 G HA2 0.687 4.667 3.960 0.034 0.000 0.305 44 G HA3 0.687 4.667 3.960 0.034 0.000 0.305 44 G C -0.642 174.281 174.900 0.037 0.000 1.190 44 G CA -0.750 44.367 45.100 0.027 0.000 0.933 44 G HN 0.831 nan 8.290 nan 0.000 0.503 45 I N 0.140 120.668 120.570 -0.070 0.000 2.339 45 I HA 0.328 4.518 4.170 0.034 0.000 0.290 45 I C -0.226 175.770 176.117 -0.201 0.000 0.994 45 I CA -0.523 60.670 61.300 -0.178 0.000 1.191 45 I CB 1.487 39.191 38.000 -0.492 0.000 1.343 45 I HN 0.377 nan 8.210 nan 0.000 0.458 46 C N 5.802 124.998 119.300 -0.173 0.000 2.634 46 C HA 0.428 4.908 4.460 0.034 0.000 0.313 46 C C 1.833 176.777 174.990 -0.077 0.000 1.198 46 C CA -0.629 58.321 59.018 -0.113 0.000 1.605 46 C CB 1.776 29.451 27.740 -0.109 0.000 2.196 46 C HN 0.977 nan 8.230 nan 0.000 0.486 47 R N 1.716 122.162 120.500 -0.090 0.000 2.133 47 R HA -0.118 4.242 4.340 0.034 0.000 0.247 47 R C 2.203 178.318 176.300 -0.309 0.000 1.151 47 R CA 2.606 58.583 56.100 -0.205 0.000 0.971 47 R CB -0.235 29.954 30.300 -0.186 0.000 0.866 47 R HN 0.874 nan 8.270 nan 0.000 0.447 48 S N 0.488 116.157 115.700 -0.052 0.000 2.399 48 S HA -0.129 4.362 4.470 0.034 0.000 0.231 48 S C 1.202 175.920 174.600 0.198 0.000 1.022 48 S CA 1.414 59.680 58.200 0.110 0.000 0.983 48 S CB -0.256 63.008 63.200 0.107 0.000 0.803 48 S HN 0.407 nan 8.310 nan 0.000 0.480 49 D N 1.307 121.843 120.400 0.227 0.000 2.117 49 D HA -0.093 4.567 4.640 0.034 0.000 0.198 49 D C 1.653 178.139 176.300 0.309 0.000 0.982 49 D CA 1.123 55.260 54.000 0.228 0.000 0.828 49 D CB -0.452 40.560 40.800 0.353 0.000 0.967 49 D HN 0.363 nan 8.370 nan 0.000 0.464 50 D N -0.063 120.543 120.400 0.343 0.000 2.178 50 D HA -0.138 4.522 4.640 0.034 0.000 0.202 50 D C 1.804 178.185 176.300 0.134 0.000 0.974 50 D CA 1.045 55.231 54.000 0.311 0.000 0.841 50 D CB -0.027 40.907 40.800 0.223 0.000 0.953 50 D HN 0.343 nan 8.370 nan 0.000 0.478 51 H N -1.127 118.023 119.070 0.133 0.000 2.353 51 H HA -0.077 4.499 4.556 0.033 0.000 0.300 51 H C 2.219 177.571 175.328 0.039 0.000 1.090 51 H CA 1.161 57.258 56.048 0.081 0.000 1.327 51 H CB 0.193 30.006 29.762 0.086 0.000 1.383 51 H HN 0.015 nan 8.280 nan 0.000 0.508 52 V N 0.409 120.399 119.914 0.127 0.000 2.282 52 V HA -0.293 3.847 4.120 0.034 0.000 0.249 52 V C 2.434 178.501 176.094 -0.044 0.000 1.057 52 V CA 1.741 64.040 62.300 -0.001 0.000 1.032 52 V CB -0.613 31.088 31.823 -0.203 0.000 0.645 52 V HN 0.275 nan 8.190 nan 0.000 0.447 53 V N 1.104 120.970 119.914 -0.079 0.000 2.255 53 V HA -0.274 3.867 4.120 0.034 0.000 0.247 53 V C 2.576 178.623 176.094 -0.078 0.000 1.051 53 V CA 2.503 64.705 62.300 -0.163 0.000 1.018 53 V CB -1.025 30.658 31.823 -0.234 0.000 0.641 53 V HN 0.744 nan 8.190 nan 0.000 0.445 54 S N -0.307 115.391 115.700 -0.005 0.000 2.423 54 S HA 0.109 4.599 4.470 0.034 0.000 0.231 54 S C 1.773 176.382 174.600 0.015 0.000 1.014 54 S CA 1.130 59.341 58.200 0.018 0.000 0.965 54 S CB 0.115 63.357 63.200 0.070 0.000 0.785 54 S HN 1.120 nan 8.310 nan 0.000 0.495 55 G N 0.224 109.037 108.800 0.020 0.000 2.284 55 G HA2 -0.305 3.676 3.960 0.034 0.000 0.216 55 G HA3 -0.305 3.676 3.960 0.034 0.000 0.216 55 G C 0.947 175.860 174.900 0.022 0.000 1.009 55 G CA 0.440 45.549 45.100 0.015 0.000 0.625 55 G HN 0.378 nan 8.290 nan 0.000 0.501 56 T N 0.269 114.839 114.554 0.028 0.000 2.592 56 T HA -0.141 4.229 4.350 0.034 0.000 0.267 56 T C 1.268 175.961 174.700 -0.012 0.000 1.060 56 T CA 1.530 63.621 62.100 -0.015 0.000 1.167 56 T CB -0.108 68.729 68.868 -0.052 0.000 0.863 56 T HN 0.450 nan 8.240 nan 0.000 0.431 57 L N 2.917 124.175 121.223 0.057 0.000 2.259 57 L HA 0.376 4.736 4.340 0.034 0.000 0.288 57 L C -0.932 175.992 176.870 0.091 0.000 1.051 57 L CA -0.668 54.224 54.840 0.087 0.000 0.824 57 L CB 0.657 42.831 42.059 0.191 0.000 1.206 57 L HN -0.046 nan 8.230 nan 0.000 0.429 58 V N 4.244 124.194 119.914 0.059 0.000 2.470 58 V HA 0.361 4.501 4.120 0.034 0.000 0.276 58 V C 0.421 176.556 176.094 0.069 0.000 1.040 58 V CA 0.069 62.397 62.300 0.047 0.000 1.008 58 V CB 0.917 32.755 31.823 0.025 0.000 0.990 58 V HN 0.831 nan 8.190 nan 0.000 0.477 59 T N 5.666 120.261 114.554 0.067 0.000 2.885 59 T HA 0.468 4.838 4.350 0.034 0.000 0.322 59 T C -2.963 171.734 174.700 -0.006 0.000 1.387 59 T CA -1.253 60.895 62.100 0.080 0.000 1.041 59 T CB 2.167 71.187 68.868 0.254 0.000 1.287 59 T HN 0.434 nan 8.240 nan 0.000 0.491 60 P HA 0.225 nan 4.420 nan 0.000 0.262 60 P C -1.016 176.187 177.300 -0.163 0.000 1.182 60 P CA -0.371 62.536 63.100 -0.322 0.000 0.761 60 P CB 0.264 31.382 31.700 -0.970 0.000 0.795 61 L N 5.572 126.775 121.223 -0.033 0.000 2.334 61 L HA 0.529 4.890 4.340 0.034 0.000 0.273 61 L C -1.888 175.109 176.870 0.212 0.000 1.013 61 L CA -2.260 52.623 54.840 0.071 0.000 0.816 61 L CB 1.071 43.154 42.059 0.040 0.000 1.278 61 L HN 0.292 nan 8.230 nan 0.000 0.431 62 P HA 0.314 nan 4.420 nan 0.000 0.274 62 P C -0.899 176.410 177.300 0.015 0.000 1.237 62 P CA -0.195 62.902 63.100 -0.005 0.000 0.793 62 P CB 2.364 33.946 31.700 -0.197 0.000 0.977 63 V N 1.714 121.564 119.914 -0.107 0.000 3.178 63 V HA 0.410 4.551 4.120 0.034 0.000 0.302 63 V C -1.072 174.953 176.094 -0.114 0.000 1.262 63 V CA -0.979 61.302 62.300 -0.033 0.000 1.030 63 V CB 2.358 34.204 31.823 0.039 0.000 1.074 63 V HN 0.353 nan 8.190 nan 0.000 0.438 64 I N 4.700 125.206 120.570 -0.107 0.000 2.371 64 I HA 0.580 4.770 4.170 0.034 0.000 0.282 64 I C 0.796 176.880 176.117 -0.055 0.000 1.031 64 I CA -0.167 61.052 61.300 -0.136 0.000 1.180 64 I CB 1.323 39.076 38.000 -0.412 0.000 1.336 64 I HN 0.838 nan 8.210 nan 0.000 0.467 65 A N 4.875 127.644 122.820 -0.086 0.000 2.404 65 A HA 0.754 5.094 4.320 0.034 0.000 0.258 65 A C 0.761 178.073 177.584 -0.454 0.000 1.644 65 A CA 0.414 52.241 52.037 -0.351 0.000 0.847 65 A CB -0.506 18.262 19.000 -0.387 0.000 1.473 65 A HN 1.032 nan 8.150 nan 0.000 0.602 66 G N -2.154 106.179 108.800 -0.779 0.000 3.172 66 G HA2 0.179 4.159 3.960 0.034 0.000 0.686 66 G HA3 0.179 4.159 3.960 0.034 0.000 0.686 66 G C -0.190 174.652 174.900 -0.096 0.000 1.009 66 G CA 0.503 45.042 45.100 -0.935 0.000 0.787 66 G HN 2.213 nan 8.290 nan 0.000 0.559 67 H N -0.040 118.955 119.070 -0.125 0.000 3.881 67 H HA 0.279 4.855 4.556 0.033 0.000 0.266 67 H C 0.163 175.533 175.328 0.070 0.000 1.153 67 H CA 0.440 56.482 56.048 -0.010 0.000 1.181 67 H CB 0.792 30.446 29.762 -0.181 0.000 1.555 67 H HN 0.603 nan 8.280 nan 0.000 0.800 68 E N 1.683 121.754 120.200 -0.215 0.000 2.101 68 E HA 0.634 5.004 4.350 0.034 0.000 0.260 68 E C -1.197 175.422 176.600 0.032 0.000 0.897 68 E CA -0.567 55.814 56.400 -0.033 0.000 0.744 68 E CB 1.074 30.697 29.700 -0.129 0.000 1.140 68 E HN 0.503 nan 8.360 nan 0.000 0.419 69 A N 2.682 125.555 122.820 0.089 0.000 2.586 69 A HA 0.790 5.130 4.320 0.034 0.000 0.291 69 A C -1.758 175.876 177.584 0.083 0.000 1.062 69 A CA -0.180 51.918 52.037 0.101 0.000 0.666 69 A CB 1.376 20.456 19.000 0.133 0.000 1.281 69 A HN 0.603 nan 8.150 nan 0.000 0.421 70 A N -0.412 122.452 122.820 0.073 0.000 2.475 70 A HA 1.008 5.348 4.320 0.034 0.000 0.301 70 A C 0.059 177.658 177.584 0.026 0.000 1.059 70 A CA 0.115 52.179 52.037 0.046 0.000 0.710 70 A CB 1.537 20.562 19.000 0.043 0.000 1.288 70 A HN 2.612 nan 8.150 nan 0.000 0.408 71 G N -0.068 108.730 108.800 -0.004 0.000 2.664 71 G HA2 0.554 4.534 3.960 0.034 0.000 0.303 71 G HA3 0.554 4.534 3.960 0.034 0.000 0.303 71 G C -1.670 173.206 174.900 -0.041 0.000 1.243 71 G CA -0.489 44.585 45.100 -0.044 0.000 0.826 71 G HN 0.614 nan 8.290 nan 0.000 0.498 72 I N 1.236 121.764 120.570 -0.070 0.000 2.433 72 I HA 0.376 4.566 4.170 0.034 0.000 0.292 72 I C 0.245 176.340 176.117 -0.038 0.000 1.001 72 I CA -0.917 60.356 61.300 -0.044 0.000 1.119 72 I CB 1.332 39.306 38.000 -0.043 0.000 1.289 72 I HN 0.118 nan 8.210 nan 0.000 0.438 73 V N 6.936 126.843 119.914 -0.012 0.000 2.446 73 V HA -0.027 4.113 4.120 0.034 0.000 0.276 73 V C 1.324 177.429 176.094 0.018 0.000 1.030 73 V CA 0.111 62.414 62.300 0.004 0.000 1.033 73 V CB 0.515 32.343 31.823 0.009 0.000 0.993 73 V HN 0.945 nan 8.190 nan 0.000 0.477 74 E N 4.810 125.035 120.200 0.042 0.000 2.035 74 E HA 0.053 4.424 4.350 0.034 0.000 0.191 74 E C 0.780 177.404 176.600 0.040 0.000 0.966 74 E CA 0.583 57.022 56.400 0.064 0.000 0.823 74 E CB 0.038 29.826 29.700 0.147 0.000 0.791 74 E HN 0.655 nan 8.360 nan 0.000 0.459 75 S N 0.681 116.402 115.700 0.035 0.000 2.566 75 S HA 0.632 5.122 4.470 0.034 0.000 0.298 75 S C -0.099 174.505 174.600 0.007 0.000 1.083 75 S CA -0.971 57.236 58.200 0.013 0.000 0.978 75 S CB 1.316 64.516 63.200 0.001 0.000 1.073 75 S HN 0.492 nan 8.310 nan 0.000 0.491 76 I N -0.282 120.286 120.570 -0.004 0.000 2.436 76 I HA 0.805 4.995 4.170 0.034 0.000 0.289 76 I C 0.553 176.653 176.117 -0.028 0.000 1.010 76 I CA -1.030 60.264 61.300 -0.009 0.000 1.098 76 I CB 1.161 39.159 38.000 -0.002 0.000 1.266 76 I HN 0.795 nan 8.210 nan 0.000 0.434 77 G N 4.993 113.768 108.800 -0.041 0.000 2.479 77 G HA2 0.161 4.141 3.960 0.034 0.000 0.275 77 G HA3 0.161 4.141 3.960 0.034 0.000 0.275 77 G C -0.101 174.737 174.900 -0.103 0.000 1.421 77 G CA -0.538 44.519 45.100 -0.072 0.000 1.059 77 G HN 0.827 nan 8.290 nan 0.000 0.535 78 E N -0.872 119.231 120.200 -0.161 0.000 2.408 78 E HA 0.339 4.709 4.350 0.034 0.000 0.259 78 E C 1.378 177.792 176.600 -0.311 0.000 1.110 78 E CA 0.444 56.724 56.400 -0.199 0.000 0.929 78 E CB 0.363 29.935 29.700 -0.213 0.000 0.971 78 E HN 0.818 nan 8.360 nan 0.000 0.438 79 G N 0.762 109.448 108.800 -0.190 0.000 2.249 79 G HA2 -0.345 3.635 3.960 0.034 0.000 0.269 79 G HA3 -0.345 3.635 3.960 0.034 0.000 0.269 79 G C 0.497 175.439 174.900 0.069 0.000 0.979 79 G CA 0.536 45.598 45.100 -0.064 0.000 0.644 79 G HN 0.392 nan 8.290 nan 0.000 0.546 80 V N 2.091 122.012 119.914 0.011 0.000 2.434 80 V HA 0.297 4.437 4.120 0.034 0.000 0.281 80 V C 1.780 177.902 176.094 0.047 0.000 1.005 80 V CA 1.609 63.948 62.300 0.064 0.000 1.089 80 V CB 0.706 32.542 31.823 0.023 0.000 0.978 80 V HN 0.716 nan 8.190 nan 0.000 0.474 81 T N -0.141 114.448 114.554 0.059 0.000 2.999 81 T HA -0.075 4.295 4.350 0.034 0.000 0.247 81 T C 1.779 176.496 174.700 0.027 0.000 1.012 81 T CA 0.612 62.734 62.100 0.037 0.000 1.048 81 T CB -0.110 68.782 68.868 0.039 0.000 1.020 81 T HN 0.674 nan 8.240 nan 0.000 0.478 82 T N 1.484 116.055 114.554 0.029 0.000 2.977 82 T HA 0.167 4.537 4.350 0.034 0.000 0.271 82 T C 0.776 175.487 174.700 0.018 0.000 1.105 82 T CA 0.682 62.795 62.100 0.021 0.000 1.116 82 T CB -0.942 67.937 68.868 0.019 0.000 0.878 82 T HN 0.728 nan 8.240 nan 0.000 0.509 83 V N -3.051 116.874 119.914 0.019 0.000 3.181 83 V HA 0.818 4.958 4.120 0.034 0.000 0.308 83 V C -1.384 174.718 176.094 0.013 0.000 1.214 83 V CA -1.699 60.611 62.300 0.015 0.000 1.053 83 V CB 2.398 34.230 31.823 0.015 0.000 1.069 83 V HN 0.186 nan 8.190 nan 0.000 0.441 84 R N 0.663 121.169 120.500 0.010 0.000 2.740 84 R HA 0.590 4.950 4.340 0.034 0.000 0.273 84 R C -3.079 173.225 176.300 0.008 0.000 0.998 84 R CA -1.868 54.236 56.100 0.008 0.000 0.900 84 R CB 2.450 32.754 30.300 0.007 0.000 1.223 84 R HN 0.522 nan 8.270 nan 0.000 0.466 85 P HA -0.012 nan 4.420 nan 0.000 0.269 85 P C 0.740 178.045 177.300 0.008 0.000 1.217 85 P CA 1.079 64.185 63.100 0.010 0.000 0.783 85 P CB 0.487 32.194 31.700 0.011 0.000 0.898 86 G N 0.398 109.203 108.800 0.008 0.000 2.268 86 G HA2 -0.202 3.778 3.960 0.034 0.000 0.240 86 G HA3 -0.202 3.778 3.960 0.034 0.000 0.240 86 G C 0.018 174.921 174.900 0.004 0.000 1.010 86 G CA -0.189 44.914 45.100 0.005 0.000 0.618 86 G HN 0.533 nan 8.290 nan 0.000 0.516 87 D N 2.171 122.574 120.400 0.005 0.000 2.450 87 D HA 0.303 4.964 4.640 0.034 0.000 0.247 87 D C 0.765 177.068 176.300 0.005 0.000 1.162 87 D CA 0.405 54.409 54.000 0.006 0.000 0.879 87 D CB 0.641 41.446 40.800 0.008 0.000 1.163 87 D HN 0.207 nan 8.370 nan 0.000 0.472 88 K N 1.694 122.099 120.400 0.008 0.000 2.298 88 K HA 0.317 4.658 4.320 0.034 0.000 0.280 88 K C 0.080 176.688 176.600 0.014 0.000 1.032 88 K CA -0.412 55.880 56.287 0.010 0.000 0.958 88 K CB 1.205 33.715 32.500 0.017 0.000 0.978 88 K HN 0.307 nan 8.250 nan 0.000 0.472 89 V N -0.222 119.700 119.914 0.013 0.000 3.206 89 V HA 0.617 4.757 4.120 0.034 0.000 0.305 89 V C -0.675 175.432 176.094 0.023 0.000 1.257 89 V CA -1.186 61.124 62.300 0.017 0.000 1.057 89 V CB 2.087 33.918 31.823 0.013 0.000 1.075 89 V HN 0.615 nan 8.190 nan 0.000 0.443 90 I N 1.762 122.349 120.570 0.029 0.000 2.478 90 I HA 0.526 4.716 4.170 0.034 0.000 0.287 90 I C -2.708 173.429 176.117 0.034 0.000 1.042 90 I CA -2.053 59.270 61.300 0.040 0.000 1.067 90 I CB 2.852 40.884 38.000 0.053 0.000 1.233 90 I HN 0.484 nan 8.210 nan 0.000 0.431 91 P HA 0.198 nan 4.420 nan 0.000 0.269 91 P C -1.107 176.208 177.300 0.026 0.000 1.209 91 P CA -0.020 63.109 63.100 0.048 0.000 0.776 91 P CB 0.503 32.254 31.700 0.085 0.000 0.876 92 L N 3.511 124.711 121.223 -0.037 0.000 2.316 92 L HA 0.350 4.710 4.340 0.034 0.000 0.280 92 L C 1.350 178.104 176.870 -0.194 0.000 1.006 92 L CA -0.596 54.124 54.840 -0.200 0.000 0.836 92 L CB 0.958 42.870 42.059 -0.244 0.000 1.221 92 L HN 0.623 nan 8.230 nan 0.000 0.418 93 W N 1.730 122.893 121.300 -0.228 0.000 2.699 93 W HA 0.002 4.683 4.660 0.036 0.000 0.249 93 W C 0.267 176.618 176.519 -0.280 0.000 1.280 93 W CA 0.246 57.450 57.345 -0.234 0.000 1.345 93 W CB -0.411 28.904 29.460 -0.242 0.000 1.128 93 W HN 0.518 nan 8.180 nan 0.000 0.642 94 T N 2.453 116.493 114.554 -0.857 0.000 2.864 94 T HA 0.434 4.805 4.350 0.034 0.000 0.310 94 T C -2.439 171.988 174.700 -0.454 0.000 1.040 94 T CA -2.091 59.589 62.100 -0.700 0.000 0.977 94 T CB 1.807 70.148 68.868 -0.878 0.000 0.976 94 T HN -0.341 nan 8.240 nan 0.000 0.459 95 P HA 0.213 nan 4.420 nan 0.000 0.280 95 P C -0.795 176.423 177.300 -0.135 0.000 1.278 95 P CA -0.224 62.763 63.100 -0.188 0.000 0.787 95 P CB 0.323 31.929 31.700 -0.156 0.000 1.163 96 Q N -0.370 119.377 119.800 -0.087 0.000 3.891 96 Q HA 0.157 4.517 4.340 0.034 0.000 0.190 96 Q C 0.203 176.177 176.000 -0.044 0.000 0.886 96 Q CA -0.201 55.573 55.803 -0.048 0.000 0.747 96 Q CB -0.492 28.235 28.738 -0.017 0.000 1.476 96 Q HN 0.653 nan 8.270 nan 0.000 0.452 97 C N -0.194 119.075 119.300 -0.052 0.000 2.449 97 C HA 0.327 4.807 4.460 0.034 0.000 0.283 97 C C 1.632 176.598 174.990 -0.040 0.000 1.453 97 C CA 0.720 59.707 59.018 -0.053 0.000 1.779 97 C CB -1.302 26.404 27.740 -0.058 0.000 1.779 97 C HN 1.007 nan 8.230 nan 0.000 0.546 98 G N 1.021 109.808 108.800 -0.023 0.000 2.233 98 G HA2 -0.306 3.674 3.960 0.034 0.000 0.270 98 G HA3 -0.306 3.674 3.960 0.034 0.000 0.270 98 G C 0.660 175.553 174.900 -0.013 0.000 1.011 98 G CA 1.058 46.152 45.100 -0.011 0.000 0.762 98 G HN 0.732 nan 8.290 nan 0.000 0.511 99 K N -1.415 118.976 120.400 -0.016 0.000 2.562 99 K HA 0.191 4.532 4.320 0.034 0.000 0.218 99 K C 1.506 178.103 176.600 -0.005 0.000 1.374 99 K CA 0.396 56.675 56.287 -0.014 0.000 0.996 99 K CB 0.462 32.946 32.500 -0.027 0.000 1.127 99 K HN 0.617 nan 8.250 nan 0.000 0.603 100 C N -0.337 118.962 119.300 -0.001 0.000 2.478 100 C HA 0.420 4.901 4.460 0.034 0.000 0.379 100 C C 1.852 176.859 174.990 0.029 0.000 1.470 100 C CA -0.917 58.106 59.018 0.008 0.000 2.066 100 C CB 0.992 28.733 27.740 0.002 0.000 2.001 100 C HN 0.288 nan 8.230 nan 0.000 0.550 101 R N 0.056 120.578 120.500 0.037 0.000 2.080 101 R HA -0.097 4.263 4.340 0.034 0.000 0.236 101 R C 2.108 178.464 176.300 0.093 0.000 1.137 101 R CA 1.943 58.081 56.100 0.063 0.000 0.943 101 R CB -0.829 29.503 30.300 0.055 0.000 0.846 101 R HN 0.738 nan 8.270 nan 0.000 0.431 102 V N 0.493 120.449 119.914 0.069 0.000 2.332 102 V HA -0.329 3.811 4.120 0.034 0.000 0.248 102 V C 2.495 178.648 176.094 0.097 0.000 1.055 102 V CA 1.745 64.091 62.300 0.077 0.000 1.038 102 V CB -0.602 31.263 31.823 0.069 0.000 0.651 102 V HN 0.466 nan 8.190 nan 0.000 0.450 103 C N -0.597 118.741 119.300 0.063 0.000 2.450 103 C HA -0.025 4.455 4.460 0.034 0.000 0.279 103 C C 2.742 177.769 174.990 0.062 0.000 1.335 103 C CA 0.310 59.361 59.018 0.054 0.000 1.749 103 C CB -0.839 26.915 27.740 0.023 0.000 1.963 103 C HN 0.455 nan 8.230 nan 0.000 0.501 104 K N 0.159 120.597 120.400 0.064 0.000 2.155 104 K HA 0.006 4.346 4.320 0.034 0.000 0.203 104 K C 0.930 177.566 176.600 0.059 0.000 1.052 104 K CA 0.501 56.817 56.287 0.049 0.000 0.948 104 K CB -0.649 31.873 32.500 0.037 0.000 0.728 104 K HN 0.631 nan 8.250 nan 0.000 0.448 105 H N 1.531 120.611 119.070 0.016 0.000 2.871 105 H HA -0.010 4.566 4.556 0.034 0.000 0.355 105 H C -1.810 173.529 175.328 0.018 0.000 1.092 105 H CA -0.950 55.108 56.048 0.016 0.000 1.420 105 H CB 1.440 31.214 29.762 0.019 0.000 1.400 105 H HN -0.153 nan 8.280 nan 0.000 0.604 106 P HA 0.004 nan 4.420 nan 0.000 0.241 106 P C 0.536 177.891 177.300 0.091 0.000 1.191 106 P CA 0.692 63.783 63.100 -0.015 0.000 0.771 106 P CB 0.611 32.260 31.700 -0.087 0.000 0.929 107 E N -0.474 119.888 120.200 0.271 0.000 2.280 107 E HA 0.224 4.594 4.350 0.034 0.000 0.197 107 E C 1.253 177.943 176.600 0.150 0.000 0.913 107 E CA 0.301 56.835 56.400 0.224 0.000 0.995 107 E CB -0.931 28.920 29.700 0.252 0.000 0.991 107 E HN -0.034 nan 8.360 nan 0.000 0.484 108 G N 1.144 110.027 108.800 0.139 0.000 2.562 108 G HA2 0.025 4.005 3.960 0.034 0.000 0.233 108 G HA3 0.025 4.005 3.960 0.034 0.000 0.233 108 G C 0.474 175.426 174.900 0.087 0.000 1.266 108 G CA 0.503 45.624 45.100 0.035 0.000 0.852 108 G HN 0.375 nan 8.290 nan 0.000 0.581 109 N N -0.089 118.670 118.700 0.099 0.000 2.325 109 N HA -0.001 4.759 4.740 0.034 0.000 0.220 109 N C 0.632 176.221 175.510 0.131 0.000 1.176 109 N CA -0.490 52.629 53.050 0.115 0.000 0.861 109 N CB 0.016 38.581 38.487 0.129 0.000 1.230 109 N HN 0.323 nan 8.380 nan 0.000 0.479 110 F N 3.283 123.221 119.950 -0.020 0.000 2.583 110 F HA 0.086 4.633 4.527 0.034 0.000 0.330 110 F C 0.740 176.518 175.800 -0.037 0.000 1.298 110 F CA -0.795 57.184 58.000 -0.035 0.000 1.099 110 F CB -0.691 38.291 39.000 -0.031 0.000 1.540 110 F HN 0.148 nan 8.300 nan 0.000 0.673 111 C N 6.256 125.467 119.300 -0.148 0.000 2.538 111 C HA -0.034 4.446 4.460 0.034 0.000 0.408 111 C C 2.110 176.986 174.990 -0.191 0.000 1.421 111 C CA -0.447 58.487 59.018 -0.139 0.000 1.642 111 C CB -0.882 26.770 27.740 -0.147 0.000 2.553 111 C HN 0.932 nan 8.230 nan 0.000 0.604 112 L N 3.631 124.805 121.223 -0.082 0.000 2.127 112 L HA -0.107 4.253 4.340 0.034 0.000 0.211 112 L C 2.050 178.861 176.870 -0.099 0.000 1.089 112 L CA 1.518 56.320 54.840 -0.063 0.000 0.757 112 L CB -0.397 41.651 42.059 -0.019 0.000 0.899 112 L HN 0.712 nan 8.230 nan 0.000 0.434 113 K N 1.160 121.496 120.400 -0.106 0.000 3.165 113 K HA 0.020 4.360 4.320 0.034 0.000 0.270 113 K C 0.010 176.525 176.600 -0.142 0.000 1.111 113 K CA -0.267 55.959 56.287 -0.102 0.000 1.216 113 K CB -0.445 32.005 32.500 -0.083 0.000 1.229 113 K HN 0.452 nan 8.250 nan 0.000 0.435 114 N N -1.316 117.264 118.700 -0.201 0.000 2.478 114 N HA 0.101 4.862 4.740 0.034 0.000 0.275 114 N C -0.233 175.177 175.510 -0.168 0.000 1.221 114 N CA -0.746 52.153 53.050 -0.251 0.000 0.979 114 N CB 1.052 39.252 38.487 -0.479 0.000 1.202 114 N HN -0.159 nan 8.380 nan 0.000 0.564 115 D N -0.978 119.333 120.400 -0.148 0.000 2.650 115 D HA 0.230 4.890 4.640 0.034 0.000 0.265 115 D C 0.200 176.447 176.300 -0.089 0.000 1.339 115 D CA -0.175 53.767 54.000 -0.096 0.000 0.816 115 D CB -0.073 40.681 40.800 -0.077 0.000 1.091 115 D HN 0.562 nan 8.370 nan 0.000 0.483 116 L N -0.610 120.560 121.223 -0.088 0.000 2.200 116 L HA 0.052 4.413 4.340 0.034 0.000 0.200 116 L C 1.956 178.862 176.870 0.060 0.000 1.072 116 L CA 0.481 55.315 54.840 -0.011 0.000 0.787 116 L CB 0.006 42.103 42.059 0.063 0.000 0.957 116 L HN 0.007 nan 8.230 nan 0.000 0.459 117 S N -0.138 115.614 115.700 0.088 0.000 2.351 117 S HA -0.214 4.276 4.470 0.034 0.000 0.220 117 S C 1.070 175.703 174.600 0.056 0.000 1.035 117 S CA 1.612 59.880 58.200 0.114 0.000 1.031 117 S CB -0.158 63.125 63.200 0.139 0.000 0.928 117 S HN 0.347 nan 8.310 nan 0.000 0.433 118 M N 2.056 121.675 119.600 0.030 0.000 2.236 118 M HA 0.405 4.905 4.480 0.034 0.000 0.228 118 M C -3.110 173.194 176.300 0.006 0.000 0.906 118 M CA -2.242 53.068 55.300 0.018 0.000 0.761 118 M CB 1.123 33.732 32.600 0.015 0.000 1.439 118 M HN -0.194 nan 8.290 nan 0.000 0.394 119 P HA 0.079 nan 4.420 nan 0.000 0.264 119 P C -0.365 176.934 177.300 -0.002 0.000 1.183 119 P CA 0.227 63.328 63.100 0.003 0.000 0.763 119 P CB 0.653 32.367 31.700 0.024 0.000 0.807 120 R N 1.922 122.425 120.500 0.005 0.000 2.383 120 R HA 0.210 4.570 4.340 0.034 0.000 0.205 120 R C 0.976 177.301 176.300 0.041 0.000 0.875 120 R CA 0.530 56.638 56.100 0.014 0.000 1.039 120 R CB 0.142 30.457 30.300 0.026 0.000 1.267 120 R HN 0.766 nan 8.270 nan 0.000 0.635 121 G N 2.521 111.373 108.800 0.085 0.000 2.272 121 G HA2 -0.278 3.702 3.960 0.034 0.000 0.280 121 G HA3 -0.278 3.702 3.960 0.034 0.000 0.280 121 G C 0.046 175.136 174.900 0.317 0.000 1.067 121 G CA 0.863 46.090 45.100 0.211 0.000 0.902 121 G HN 0.476 nan 8.290 nan 0.000 0.500 122 T N -3.620 111.021 114.554 0.145 0.000 2.804 122 T HA 0.809 5.180 4.350 0.034 0.000 0.290 122 T C 0.632 175.235 174.700 -0.162 0.000 1.099 122 T CA -1.020 61.087 62.100 0.012 0.000 1.011 122 T CB 1.795 70.683 68.868 0.034 0.000 1.291 122 T HN 0.182 nan 8.240 nan 0.000 0.523 123 M N 0.964 120.389 119.600 -0.292 0.000 2.012 123 M HA 0.315 4.815 4.480 0.034 0.000 0.248 123 M C 1.718 177.943 176.300 -0.126 0.000 1.238 123 M CA -0.636 54.507 55.300 -0.262 0.000 0.980 123 M CB 0.356 32.779 32.600 -0.295 0.000 1.346 123 M HN 0.705 nan 8.290 nan 0.000 0.511 124 Q N 1.247 120.992 119.800 -0.092 0.000 2.112 124 Q HA -0.195 4.165 4.340 0.034 0.000 0.206 124 Q C 1.223 177.196 176.000 -0.045 0.000 0.987 124 Q CA 2.088 57.857 55.803 -0.058 0.000 0.858 124 Q CB -0.734 27.978 28.738 -0.044 0.000 0.905 124 Q HN 0.741 nan 8.270 nan 0.000 0.420 125 D N -1.540 118.832 120.400 -0.047 0.000 2.392 125 D HA 0.006 4.666 4.640 0.034 0.000 0.228 125 D C 1.123 177.407 176.300 -0.027 0.000 1.003 125 D CA 1.016 54.996 54.000 -0.032 0.000 0.917 125 D CB -0.346 40.435 40.800 -0.032 0.000 0.890 125 D HN 0.341 nan 8.370 nan 0.000 0.532 126 G N -0.549 108.231 108.800 -0.032 0.000 2.175 126 G HA2 -0.257 3.723 3.960 0.034 0.000 0.244 126 G HA3 -0.257 3.723 3.960 0.034 0.000 0.244 126 G C 0.520 175.415 174.900 -0.007 0.000 0.982 126 G CA 0.560 45.654 45.100 -0.010 0.000 0.641 126 G HN 0.793 nan 8.290 nan 0.000 0.527 127 T N -1.972 112.560 114.554 -0.038 0.000 2.910 127 T HA 0.754 5.125 4.350 0.034 0.000 0.279 127 T C 0.050 174.705 174.700 -0.074 0.000 0.989 127 T CA 0.238 62.315 62.100 -0.038 0.000 0.968 127 T CB 2.148 70.992 68.868 -0.040 0.000 1.135 127 T HN 1.117 nan 8.240 nan 0.000 0.562 128 S N -0.867 114.810 115.700 -0.039 0.000 2.521 128 S HA 0.423 4.913 4.470 0.034 0.000 0.295 128 S C 0.289 174.892 174.600 0.006 0.000 1.098 128 S CA -0.954 57.255 58.200 0.016 0.000 0.999 128 S CB 0.946 64.218 63.200 0.119 0.000 1.034 128 S HN 0.613 nan 8.310 nan 0.000 0.483 129 R N 2.677 123.185 120.500 0.013 0.000 2.449 129 R HA 0.245 4.605 4.340 0.034 0.000 0.262 129 R C -1.094 175.024 176.300 -0.305 0.000 1.006 129 R CA 0.201 56.196 56.100 -0.174 0.000 1.104 129 R CB -0.707 29.423 30.300 -0.283 0.000 1.206 129 R HN 0.467 nan 8.270 nan 0.000 0.538 130 F N -0.352 119.665 119.950 0.113 0.000 2.563 130 F HA 0.438 4.992 4.527 0.045 0.000 0.316 130 F C 0.245 176.052 175.800 0.011 0.000 1.076 130 F CA -0.891 57.122 58.000 0.022 0.000 0.921 130 F CB 2.172 41.139 39.000 -0.054 0.000 1.209 130 F HN -0.223 nan 8.300 nan 0.000 0.462 131 T N -0.669 114.030 114.554 0.241 0.000 3.097 131 T HA 0.395 4.765 4.350 0.034 0.000 0.332 131 T C -1.727 173.056 174.700 0.138 0.000 1.269 131 T CA -0.730 61.458 62.100 0.146 0.000 1.076 131 T CB 1.150 70.083 68.868 0.109 0.000 1.209 131 T HN 0.797 nan 8.240 nan 0.000 0.474 132 C N 4.788 124.183 119.300 0.158 0.000 2.322 132 C HA 0.628 5.109 4.460 0.034 0.000 0.324 132 C C 0.786 175.899 174.990 0.205 0.000 1.249 132 C CA -0.409 58.731 59.018 0.203 0.000 1.453 132 C CB -0.825 27.108 27.740 0.322 0.000 2.145 132 C HN 1.033 nan 8.230 nan 0.000 0.466 133 R N 4.624 125.209 120.500 0.141 0.000 3.251 133 R HA -0.195 4.165 4.340 0.034 0.000 0.249 133 R C 1.167 177.521 176.300 0.089 0.000 0.949 133 R CA 0.938 57.097 56.100 0.099 0.000 0.645 133 R CB -2.239 28.110 30.300 0.081 0.000 1.065 133 R HN 1.921 nan 8.270 nan 0.000 0.452 134 G N -0.336 108.514 108.800 0.085 0.000 2.328 134 G HA2 -0.436 3.544 3.960 0.034 0.000 0.256 134 G HA3 -0.436 3.544 3.960 0.034 0.000 0.256 134 G C 0.239 175.189 174.900 0.084 0.000 1.014 134 G CA 0.948 46.090 45.100 0.071 0.000 0.620 134 G HN 0.483 nan 8.290 nan 0.000 0.530 135 K N 2.539 123.010 120.400 0.118 0.000 2.276 135 K HA 0.436 4.776 4.320 0.034 0.000 0.283 135 K C -2.122 174.552 176.600 0.123 0.000 1.044 135 K CA -1.876 54.491 56.287 0.134 0.000 0.944 135 K CB 1.183 33.807 32.500 0.207 0.000 1.012 135 K HN 0.115 nan 8.250 nan 0.000 0.472 136 P HA 0.042 nan 4.420 nan 0.000 0.271 136 P C -0.743 176.547 177.300 -0.017 0.000 1.220 136 P CA -0.140 62.979 63.100 0.032 0.000 0.768 136 P CB 0.634 32.324 31.700 -0.017 0.000 0.848 137 I N 3.767 124.342 120.570 0.008 0.000 2.404 137 I HA 0.275 4.466 4.170 0.034 0.000 0.293 137 I C 1.014 177.153 176.117 0.038 0.000 0.992 137 I CA -1.173 60.093 61.300 -0.057 0.000 1.149 137 I CB 0.301 38.218 38.000 -0.137 0.000 1.315 137 I HN 0.416 nan 8.210 nan 0.000 0.446 138 H N 4.896 124.031 119.070 0.109 0.000 2.771 138 H HA 0.173 4.749 4.556 0.032 0.000 0.364 138 H C 0.211 175.705 175.328 0.277 0.000 1.133 138 H CA 0.517 56.689 56.048 0.207 0.000 1.423 138 H CB 0.615 30.464 29.762 0.146 0.000 1.425 138 H HN 0.423 nan 8.280 nan 0.000 0.606 139 H N 0.941 120.256 119.070 0.408 0.000 2.495 139 H HA 0.146 4.725 4.556 0.038 0.000 0.350 139 H C -0.834 174.710 175.328 0.361 0.000 1.202 139 H CA -0.311 55.972 56.048 0.391 0.000 1.322 139 H CB 1.247 31.181 29.762 0.286 0.000 1.544 139 H HN 0.356 nan 8.280 nan 0.000 0.565 140 F N 2.253 122.346 119.950 0.239 0.000 2.507 140 F HA 0.147 4.698 4.527 0.039 0.000 0.328 140 F C -0.426 175.453 175.800 0.132 0.000 1.136 140 F CA -1.004 57.075 58.000 0.133 0.000 0.930 140 F CB 0.487 39.524 39.000 0.061 0.000 1.166 140 F HN 0.403 nan 8.300 nan 0.000 0.436 141 L N 5.534 126.543 121.223 -0.356 0.000 3.858 141 L HA -0.181 4.179 4.340 0.034 0.000 0.425 141 L C 1.288 178.129 176.870 -0.048 0.000 1.177 141 L CA 1.218 55.869 54.840 -0.315 0.000 0.943 141 L CB -2.103 39.635 42.059 -0.535 0.000 1.861 141 L HN 1.158 nan 8.230 nan 0.000 0.985 142 G N -1.703 107.135 108.800 0.064 0.000 2.283 142 G HA2 -0.357 3.623 3.960 0.034 0.000 0.280 142 G HA3 -0.357 3.623 3.960 0.034 0.000 0.280 142 G C 0.859 175.864 174.900 0.175 0.000 1.029 142 G CA 1.347 46.513 45.100 0.111 0.000 0.840 142 G HN 0.945 nan 8.290 nan 0.000 0.505 143 T N -5.275 109.417 114.554 0.230 0.000 3.358 143 T HA 0.431 4.801 4.350 0.034 0.000 0.263 143 T C 1.123 175.970 174.700 0.246 0.000 0.998 143 T CA 1.086 63.316 62.100 0.216 0.000 1.130 143 T CB 0.189 69.170 68.868 0.188 0.000 1.165 143 T HN 1.386 nan 8.240 nan 0.000 0.426 144 S N 2.206 118.057 115.700 0.252 0.000 3.386 144 S HA -0.140 4.350 4.470 0.034 0.000 0.403 144 S C 0.961 175.620 174.600 0.099 0.000 0.893 144 S CA 0.725 59.025 58.200 0.167 0.000 1.336 144 S CB -1.800 61.496 63.200 0.161 0.000 0.925 144 S HN 1.079 nan 8.310 nan 0.000 0.589 145 T N -2.397 112.180 114.554 0.038 0.000 3.081 145 T HA 0.175 4.545 4.350 0.034 0.000 0.255 145 T C 0.554 175.430 174.700 0.293 0.000 1.113 145 T CA 0.115 62.270 62.100 0.091 0.000 1.082 145 T CB -0.185 68.733 68.868 0.083 0.000 0.939 145 T HN 0.374 nan 8.240 nan 0.000 0.506 146 F N 3.122 123.164 119.950 0.152 0.000 2.783 146 F HA 0.628 5.174 4.527 0.031 0.000 0.338 146 F C 0.843 176.804 175.800 0.269 0.000 1.178 146 F CA -1.427 56.732 58.000 0.264 0.000 1.343 146 F CB -1.356 37.638 39.000 -0.010 0.000 1.496 146 F HN 0.189 nan 8.300 nan 0.000 0.583 147 S N -0.548 115.321 115.700 0.282 0.000 2.537 147 S HA 0.298 4.788 4.470 0.034 0.000 0.270 147 S C 0.556 174.965 174.600 -0.318 0.000 1.142 147 S CA -0.547 57.656 58.200 0.004 0.000 0.870 147 S CB 1.437 64.585 63.200 -0.086 0.000 1.112 147 S HN 0.369 nan 8.310 nan 0.000 0.466 148 Q N 1.138 120.709 119.800 -0.382 0.000 2.297 148 Q HA 0.063 4.424 4.340 0.034 0.000 0.204 148 Q C -0.721 174.895 176.000 -0.640 0.000 0.962 148 Q CA 1.130 56.524 55.803 -0.682 0.000 0.879 148 Q CB 0.114 28.669 28.738 -0.305 0.000 0.947 148 Q HN 0.662 nan 8.270 nan 0.000 0.462 149 Y N -1.336 118.839 120.300 -0.207 0.000 2.492 149 Y HA 0.416 4.984 4.550 0.029 0.000 0.346 149 Y C -0.213 175.729 175.900 0.069 0.000 0.997 149 Y CA -0.671 57.379 58.100 -0.084 0.000 1.025 149 Y CB 2.634 41.077 38.460 -0.028 0.000 1.263 149 Y HN -0.322 nan 8.280 nan 0.000 0.454 150 T N 1.733 116.414 114.554 0.212 0.000 2.868 150 T HA 0.730 5.100 4.350 0.034 0.000 0.306 150 T C -2.064 172.714 174.700 0.129 0.000 1.224 150 T CA -0.555 61.699 62.100 0.258 0.000 1.012 150 T CB 1.200 70.203 68.868 0.226 0.000 1.221 150 T HN 0.318 nan 8.240 nan 0.000 0.499 151 V N 3.877 123.834 119.914 0.072 0.000 2.443 151 V HA 0.677 4.817 4.120 0.034 0.000 0.293 151 V C -0.070 176.082 176.094 0.097 0.000 1.021 151 V CA -0.729 61.596 62.300 0.041 0.000 0.848 151 V CB 1.194 32.988 31.823 -0.048 0.000 0.998 151 V HN 0.818 nan 8.190 nan 0.000 0.424 152 V N 0.552 120.506 119.914 0.067 0.000 2.769 152 V HA 0.667 4.807 4.120 0.034 0.000 0.312 152 V C -0.088 176.019 176.094 0.022 0.000 1.061 152 V CA -0.747 61.589 62.300 0.061 0.000 0.931 152 V CB 1.960 33.823 31.823 0.067 0.000 1.010 152 V HN 0.691 nan 8.190 nan 0.000 0.433 153 D N 1.810 122.212 120.400 0.004 0.000 2.354 153 D HA 0.031 4.691 4.640 0.034 0.000 0.238 153 D C 0.961 177.269 176.300 0.014 0.000 1.250 153 D CA 0.498 54.501 54.000 0.004 0.000 0.911 153 D CB 1.266 42.057 40.800 -0.014 0.000 1.163 153 D HN 0.938 nan 8.370 nan 0.000 0.456 154 E N 0.316 120.536 120.200 0.034 0.000 2.150 154 E HA -0.150 4.220 4.350 0.034 0.000 0.193 154 E C 2.025 178.625 176.600 -0.001 0.000 0.985 154 E CA 0.561 56.979 56.400 0.030 0.000 0.814 154 E CB -0.025 29.715 29.700 0.067 0.000 0.752 154 E HN 0.540 nan 8.360 nan 0.000 0.466 155 I N -2.286 118.271 120.570 -0.021 0.000 3.001 155 I HA -0.006 4.184 4.170 0.034 0.000 0.268 155 I C 1.443 177.529 176.117 -0.051 0.000 1.267 155 I CA 0.780 62.055 61.300 -0.042 0.000 1.472 155 I CB 0.266 38.231 38.000 -0.059 0.000 1.089 155 I HN -0.140 nan 8.210 nan 0.000 0.468 156 S N 0.564 116.241 115.700 -0.039 0.000 2.574 156 S HA 0.398 4.889 4.470 0.034 0.000 0.242 156 S C -0.065 174.522 174.600 -0.022 0.000 0.982 156 S CA -0.272 57.901 58.200 -0.044 0.000 0.977 156 S CB 0.290 63.475 63.200 -0.025 0.000 0.814 156 S HN 0.301 nan 8.310 nan 0.000 0.464 157 V N 1.045 120.950 119.914 -0.016 0.000 2.971 157 V HA 0.894 5.034 4.120 0.034 0.000 0.309 157 V C -1.618 174.475 176.094 -0.001 0.000 1.130 157 V CA -0.620 61.680 62.300 -0.001 0.000 0.964 157 V CB 2.040 33.869 31.823 0.011 0.000 1.029 157 V HN 0.202 nan 8.190 nan 0.000 0.427 158 A N 4.877 127.701 122.820 0.007 0.000 2.398 158 A HA 0.701 5.042 4.320 0.034 0.000 0.301 158 A C -0.856 176.739 177.584 0.018 0.000 1.041 158 A CA -0.749 51.296 52.037 0.013 0.000 0.711 158 A CB 1.512 20.523 19.000 0.017 0.000 1.240 158 A HN 0.848 nan 8.150 nan 0.000 0.420 159 K N 3.038 123.449 120.400 0.018 0.000 2.339 159 K HA 0.496 4.836 4.320 0.034 0.000 0.286 159 K C -0.058 176.555 176.600 0.022 0.000 1.050 159 K CA -0.155 56.143 56.287 0.018 0.000 0.956 159 K CB 0.103 32.613 32.500 0.016 0.000 0.990 159 K HN 0.690 nan 8.250 nan 0.000 0.475 160 I N -0.962 119.623 120.570 0.025 0.000 3.654 160 I HA 0.453 4.643 4.170 0.034 0.000 0.278 160 I C -0.271 175.862 176.117 0.027 0.000 1.193 160 I CA -1.196 60.123 61.300 0.031 0.000 1.087 160 I CB 0.779 38.804 38.000 0.041 0.000 1.372 160 I HN 0.391 nan 8.210 nan 0.000 0.507 161 D N 0.898 121.317 120.400 0.032 0.000 2.390 161 D HA 0.306 4.966 4.640 0.034 0.000 0.249 161 D C 0.910 177.221 176.300 0.019 0.000 1.144 161 D CA 0.233 54.245 54.000 0.021 0.000 0.880 161 D CB 1.831 42.641 40.800 0.017 0.000 1.182 161 D HN 0.673 nan 8.370 nan 0.000 0.451 162 A N 3.519 126.345 122.820 0.010 0.000 2.131 162 A HA -0.030 4.310 4.320 0.034 0.000 0.220 162 A C 1.695 179.283 177.584 0.006 0.000 1.158 162 A CA 1.698 53.739 52.037 0.007 0.000 0.665 162 A CB -0.200 18.802 19.000 0.003 0.000 0.795 162 A HN 0.561 nan 8.150 nan 0.000 0.460 163 A N -0.713 122.108 122.820 0.002 0.000 2.348 163 A HA 0.436 4.777 4.320 0.034 0.000 0.224 163 A C 0.909 178.499 177.584 0.011 0.000 1.227 163 A CA 0.061 52.095 52.037 -0.005 0.000 0.885 163 A CB -0.217 18.767 19.000 -0.026 0.000 0.933 163 A HN 0.240 nan 8.150 nan 0.000 0.506 164 S N 2.540 118.262 115.700 0.036 0.000 2.546 164 S HA 0.247 4.737 4.470 0.034 0.000 0.290 164 S C -2.619 172.036 174.600 0.091 0.000 1.262 164 S CA -0.183 58.067 58.200 0.085 0.000 1.083 164 S CB 0.254 63.504 63.200 0.084 0.000 0.859 164 S HN 0.233 nan 8.310 nan 0.000 0.495 165 P HA 0.215 nan 4.420 nan 0.000 0.277 165 P C 0.413 177.768 177.300 0.092 0.000 1.354 165 P CA -0.224 62.944 63.100 0.112 0.000 0.891 165 P CB 0.303 32.099 31.700 0.161 0.000 1.058 166 L N 2.240 123.498 121.223 0.059 0.000 2.450 166 L HA -0.184 4.176 4.340 0.034 0.000 0.224 166 L C 1.277 178.170 176.870 0.038 0.000 1.149 166 L CA 1.406 56.273 54.840 0.045 0.000 0.816 166 L CB -0.586 41.498 42.059 0.041 0.000 0.932 166 L HN 0.336 nan 8.230 nan 0.000 0.449 167 E N -0.266 119.956 120.200 0.037 0.000 2.442 167 E HA -0.081 4.289 4.350 0.034 0.000 0.195 167 E C 1.554 178.152 176.600 -0.002 0.000 1.030 167 E CA 0.510 56.925 56.400 0.025 0.000 0.869 167 E CB 0.112 29.827 29.700 0.025 0.000 0.857 167 E HN 0.381 nan 8.360 nan 0.000 0.505 168 K N -0.153 120.237 120.400 -0.016 0.000 2.424 168 K HA 0.095 4.435 4.320 0.034 0.000 0.198 168 K C 1.673 178.122 176.600 -0.251 0.000 1.190 168 K CA 0.654 56.878 56.287 -0.105 0.000 0.935 168 K CB 0.702 33.177 32.500 -0.041 0.000 1.087 168 K HN 0.092 nan 8.250 nan 0.000 0.524 169 V N 0.005 119.812 119.914 -0.177 0.000 3.380 169 V HA -0.134 4.007 4.120 0.034 0.000 0.268 169 V C 2.150 178.193 176.094 -0.085 0.000 1.168 169 V CA 0.858 63.038 62.300 -0.201 0.000 1.156 169 V CB -1.442 30.355 31.823 -0.043 0.000 0.785 169 V HN 0.423 nan 8.190 nan 0.000 0.487 170 C N -0.330 118.946 119.300 -0.040 0.000 2.419 170 C HA 0.011 4.491 4.460 0.034 0.000 0.281 170 C C 2.434 177.442 174.990 0.030 0.000 1.336 170 C CA 0.383 59.412 59.018 0.017 0.000 1.770 170 C CB -1.861 25.902 27.740 0.038 0.000 1.929 170 C HN 0.551 nan 8.230 nan 0.000 0.509 171 L N 1.006 122.216 121.223 -0.021 0.000 2.129 171 L HA -0.107 4.253 4.340 0.034 0.000 0.212 171 L C 2.552 179.504 176.870 0.136 0.000 1.087 171 L CA 1.476 56.332 54.840 0.026 0.000 0.757 171 L CB -0.543 41.477 42.059 -0.066 0.000 0.896 171 L HN 0.347 nan 8.230 nan 0.000 0.434 172 I N -0.076 120.553 120.570 0.097 0.000 3.334 172 I HA -0.105 4.085 4.170 0.034 0.000 0.282 172 I C 2.082 178.376 176.117 0.295 0.000 1.313 172 I CA 0.722 62.141 61.300 0.198 0.000 1.396 172 I CB -0.669 37.387 38.000 0.093 0.000 1.054 172 I HN 0.248 nan 8.210 nan 0.000 0.495 173 G N -0.869 108.092 108.800 0.268 0.000 2.744 173 G HA2 -0.020 3.960 3.960 0.034 0.000 0.211 173 G HA3 -0.020 3.960 3.960 0.034 0.000 0.211 173 G C 0.965 176.158 174.900 0.488 0.000 1.146 173 G CA 0.578 45.852 45.100 0.290 0.000 0.787 173 G HN 0.471 nan 8.290 nan 0.000 0.534 174 C N -2.251 117.376 119.300 0.546 0.000 3.301 174 C HA 0.448 4.928 4.460 0.034 0.000 0.172 174 C C 2.848 178.140 174.990 0.503 0.000 2.629 174 C CA 1.569 61.010 59.018 0.705 0.000 0.959 174 C CB -0.410 27.666 27.740 0.560 0.000 1.292 174 C HN 0.390 nan 8.230 nan 0.000 0.693 175 G N 1.021 110.014 108.800 0.321 0.000 2.719 175 G HA2 -0.326 3.654 3.960 0.034 0.000 0.219 175 G HA3 -0.326 3.654 3.960 0.034 0.000 0.219 175 G C 1.314 176.363 174.900 0.250 0.000 1.234 175 G CA 1.888 47.133 45.100 0.242 0.000 0.788 175 G HN 0.626 nan 8.290 nan 0.000 0.619 176 F N 1.858 121.854 119.950 0.077 0.000 2.031 176 F HA -0.085 4.462 4.527 0.033 0.000 0.295 176 F C 3.058 178.888 175.800 0.051 0.000 1.133 176 F CA 2.135 60.134 58.000 -0.002 0.000 1.188 176 F CB -0.689 38.232 39.000 -0.132 0.000 0.974 176 F HN 0.167 nan 8.300 nan 0.000 0.473 177 S N -0.459 115.307 115.700 0.110 0.000 2.420 177 S HA -0.211 4.279 4.470 0.034 0.000 0.237 177 S C 1.909 176.546 174.600 0.061 0.000 1.023 177 S CA 1.691 59.909 58.200 0.030 0.000 0.991 177 S CB -0.679 62.532 63.200 0.018 0.000 0.792 177 S HN 0.532 nan 8.310 nan 0.000 0.488 178 T N 1.057 115.714 114.554 0.172 0.000 2.777 178 T HA -0.001 4.369 4.350 0.034 0.000 0.266 178 T C 1.960 176.671 174.700 0.020 0.000 1.040 178 T CA 1.256 63.459 62.100 0.172 0.000 1.141 178 T CB -0.606 68.456 68.868 0.325 0.000 0.868 178 T HN 0.537 nan 8.240 nan 0.000 0.444 179 G N -0.083 108.698 108.800 -0.032 0.000 2.551 179 G HA2 -0.149 3.831 3.960 0.034 0.000 0.214 179 G HA3 -0.149 3.831 3.960 0.034 0.000 0.214 179 G C 1.274 176.022 174.900 -0.254 0.000 1.250 179 G CA 0.475 45.500 45.100 -0.126 0.000 0.825 179 G HN 0.458 nan 8.290 nan 0.000 0.549 180 Y N 1.982 121.953 120.300 -0.549 0.000 2.133 180 Y HA -0.254 4.316 4.550 0.034 0.000 0.279 180 Y C 2.722 178.390 175.900 -0.386 0.000 1.209 180 Y CA 2.136 59.866 58.100 -0.618 0.000 1.152 180 Y CB -0.388 37.350 38.460 -1.204 0.000 0.961 180 Y HN 0.150 nan 8.280 nan 0.000 0.512 181 G N -1.839 106.842 108.800 -0.198 0.000 2.421 181 G HA2 -0.202 3.778 3.960 0.034 0.000 0.217 181 G HA3 -0.202 3.778 3.960 0.034 0.000 0.217 181 G C 1.825 176.414 174.900 -0.518 0.000 1.143 181 G CA 0.832 45.527 45.100 -0.675 0.000 0.784 181 G HN 0.433 nan 8.290 nan 0.000 0.541 182 S N 0.708 116.212 115.700 -0.326 0.000 2.383 182 S HA -0.026 4.464 4.470 0.034 0.000 0.229 182 S C 2.663 177.169 174.600 -0.156 0.000 1.030 182 S CA 1.303 59.401 58.200 -0.169 0.000 1.002 182 S CB -0.187 62.970 63.200 -0.071 0.000 0.829 182 S HN 0.576 nan 8.310 nan 0.000 0.467 183 A N 0.239 122.796 122.820 -0.438 0.000 1.911 183 A HA 0.155 4.495 4.320 0.034 0.000 0.212 183 A C 2.031 179.385 177.584 -0.383 0.000 1.189 183 A CA 0.800 52.562 52.037 -0.459 0.000 0.639 183 A CB -0.205 18.389 19.000 -0.678 0.000 0.839 183 A HN 0.353 nan 8.150 nan 0.000 0.449 184 V N -0.532 119.085 119.914 -0.494 0.000 3.590 184 V HA 0.054 4.194 4.120 0.034 0.000 0.265 184 V C 1.937 177.840 176.094 -0.318 0.000 1.239 184 V CA 1.899 63.945 62.300 -0.422 0.000 1.117 184 V CB 0.370 31.841 31.823 -0.586 0.000 0.818 184 V HN 0.605 nan 8.190 nan 0.000 0.451 185 K N -0.504 119.658 120.400 -0.396 0.000 2.485 185 K HA 0.202 4.543 4.320 0.034 0.000 0.200 185 K C 1.469 177.922 176.600 -0.244 0.000 1.352 185 K CA 0.991 57.059 56.287 -0.365 0.000 0.953 185 K CB 0.160 32.239 32.500 -0.702 0.000 1.387 185 K HN 0.053 nan 8.250 nan 0.000 0.512 186 V N 1.283 121.061 119.914 -0.228 0.000 2.300 186 V HA 0.118 4.258 4.120 0.034 0.000 0.233 186 V C 2.262 178.335 176.094 -0.035 0.000 1.052 186 V CA 1.694 63.931 62.300 -0.105 0.000 1.026 186 V CB -0.850 30.931 31.823 -0.069 0.000 0.661 186 V HN 0.359 nan 8.190 nan 0.000 0.470 187 A N -1.042 121.793 122.820 0.026 0.000 1.940 187 A HA -0.210 4.130 4.320 0.034 0.000 0.219 187 A C 1.293 178.830 177.584 -0.078 0.000 1.176 187 A CA 1.752 53.812 52.037 0.038 0.000 0.631 187 A CB -0.509 18.548 19.000 0.094 0.000 0.814 187 A HN 0.646 nan 8.150 nan 0.000 0.446 188 K N -1.447 118.850 120.400 -0.172 0.000 3.181 188 K HA -0.111 4.230 4.320 0.034 0.000 0.269 188 K C -0.344 176.040 176.600 -0.360 0.000 1.097 188 K CA 0.364 56.535 56.287 -0.194 0.000 0.783 188 K CB -2.379 30.084 32.500 -0.062 0.000 1.267 188 K HN 0.287 nan 8.250 nan 0.000 0.484 189 V N 1.401 120.919 119.914 -0.659 0.000 2.872 189 V HA -0.117 4.023 4.120 0.034 0.000 0.302 189 V C 1.334 177.268 176.094 -0.266 0.000 1.166 189 V CA 1.297 63.070 62.300 -0.879 0.000 1.298 189 V CB 0.767 32.277 31.823 -0.522 0.000 0.894 189 V HN 0.527 nan 8.190 nan 0.000 0.509 190 T N 2.944 117.501 114.554 0.005 0.000 2.932 190 T HA 0.436 4.806 4.350 0.034 0.000 0.289 190 T C -0.453 174.299 174.700 0.087 0.000 1.039 190 T CA -1.014 61.140 62.100 0.090 0.000 1.024 190 T CB 1.511 70.482 68.868 0.171 0.000 1.090 190 T HN 0.517 nan 8.240 nan 0.000 0.496 191 Q N 0.692 120.524 119.800 0.053 0.000 2.269 191 Q HA 0.286 4.646 4.340 0.034 0.000 0.300 191 Q C 1.520 177.555 176.000 0.059 0.000 1.070 191 Q CA 1.892 57.722 55.803 0.047 0.000 0.957 191 Q CB 0.379 29.137 28.738 0.033 0.000 1.131 191 Q HN 1.308 nan 8.270 nan 0.000 0.377 192 G N 2.063 110.899 108.800 0.061 0.000 2.383 192 G HA2 -0.351 3.629 3.960 0.034 0.000 0.229 192 G HA3 -0.351 3.629 3.960 0.034 0.000 0.229 192 G C 0.402 175.352 174.900 0.083 0.000 1.089 192 G CA 0.371 45.507 45.100 0.059 0.000 0.640 192 G HN 0.881 nan 8.290 nan 0.000 0.510 193 S N 0.036 115.817 115.700 0.134 0.000 2.564 193 S HA 0.415 4.906 4.470 0.034 0.000 0.263 193 S C 0.128 174.831 174.600 0.171 0.000 1.378 193 S CA 1.289 59.603 58.200 0.190 0.000 0.996 193 S CB 1.007 64.474 63.200 0.444 0.000 0.881 193 S HN 0.949 nan 8.310 nan 0.000 0.555 194 T N 1.563 116.215 114.554 0.164 0.000 2.833 194 T HA 0.502 4.872 4.350 0.034 0.000 0.297 194 T C -0.329 174.485 174.700 0.189 0.000 1.015 194 T CA -0.528 61.652 62.100 0.134 0.000 0.963 194 T CB -0.021 68.891 68.868 0.073 0.000 0.955 194 T HN 0.794 nan 8.240 nan 0.000 0.449 195 C N 2.691 122.125 119.300 0.224 0.000 2.358 195 C HA 0.974 5.454 4.460 0.034 0.000 0.354 195 C C 0.596 175.708 174.990 0.203 0.000 1.183 195 C CA -0.807 58.389 59.018 0.297 0.000 2.150 195 C CB 0.590 28.563 27.740 0.388 0.000 2.361 195 C HN 0.975 nan 8.230 nan 0.000 0.535 196 A N 1.147 124.108 122.820 0.235 0.000 2.398 196 A HA 0.758 5.098 4.320 0.034 0.000 0.301 196 A C -1.199 176.544 177.584 0.265 0.000 1.041 196 A CA -0.284 51.843 52.037 0.150 0.000 0.711 196 A CB 0.932 20.000 19.000 0.112 0.000 1.240 196 A HN 0.753 nan 8.150 nan 0.000 0.420 197 V N 2.310 122.311 119.914 0.145 0.000 2.378 197 V HA 0.451 4.591 4.120 0.034 0.000 0.288 197 V C -1.028 175.114 176.094 0.080 0.000 1.016 197 V CA -0.356 62.077 62.300 0.221 0.000 0.840 197 V CB 0.821 32.727 31.823 0.139 0.000 0.994 197 V HN 0.707 nan 8.190 nan 0.000 0.431 198 F N 3.004 123.050 119.950 0.159 0.000 2.411 198 F HA 0.713 5.260 4.527 0.033 0.000 0.355 198 F C 0.973 176.850 175.800 0.128 0.000 1.117 198 F CA 0.329 58.408 58.000 0.132 0.000 1.139 198 F CB 1.365 40.438 39.000 0.121 0.000 1.120 198 F HN 0.842 nan 8.300 nan 0.000 0.493 199 G N 4.100 113.028 108.800 0.213 0.000 3.190 199 G HA2 -0.153 3.827 3.960 0.034 0.000 0.686 199 G HA3 -0.153 3.827 3.960 0.034 0.000 0.686 199 G C -0.713 174.270 174.900 0.139 0.000 1.033 199 G CA -1.023 44.183 45.100 0.176 0.000 0.797 199 G HN 0.719 nan 8.290 nan 0.000 0.567 200 L N 2.720 124.017 121.223 0.124 0.000 3.141 200 L HA 0.395 4.755 4.340 0.034 0.000 0.267 200 L C 1.784 178.708 176.870 0.091 0.000 1.281 200 L CA 0.021 54.928 54.840 0.112 0.000 1.037 200 L CB 0.052 42.198 42.059 0.144 0.000 1.407 200 L HN 0.829 nan 8.230 nan 0.000 0.566 201 G N -0.258 108.595 108.800 0.087 0.000 2.479 201 G HA2 0.202 4.183 3.960 0.034 0.000 0.275 201 G HA3 0.202 4.183 3.960 0.034 0.000 0.275 201 G C 1.109 176.053 174.900 0.073 0.000 1.421 201 G CA 0.287 45.431 45.100 0.073 0.000 1.059 201 G HN 0.287 nan 8.290 nan 0.000 0.535 202 G N -0.578 108.263 108.800 0.068 0.000 2.408 202 G HA2 0.086 4.066 3.960 0.034 0.000 0.217 202 G HA3 0.086 4.066 3.960 0.034 0.000 0.217 202 G C 1.929 176.884 174.900 0.091 0.000 1.150 202 G CA 1.651 46.797 45.100 0.077 0.000 0.776 202 G HN 0.899 nan 8.290 nan 0.000 0.542 203 A N 0.746 123.618 122.820 0.087 0.000 1.969 203 A HA 0.218 4.559 4.320 0.034 0.000 0.218 203 A C 2.611 180.225 177.584 0.050 0.000 1.169 203 A CA 1.923 54.008 52.037 0.081 0.000 0.635 203 A CB -0.765 18.293 19.000 0.098 0.000 0.810 203 A HN 0.456 nan 8.150 nan 0.000 0.445 204 G N -0.190 108.649 108.800 0.065 0.000 2.404 204 G HA2 -0.033 3.947 3.960 0.034 0.000 0.214 204 G HA3 -0.033 3.947 3.960 0.034 0.000 0.214 204 G C 1.242 176.161 174.900 0.032 0.000 1.189 204 G CA 0.962 46.095 45.100 0.054 0.000 0.789 204 G HN 0.334 nan 8.290 nan 0.000 0.533 205 L N 1.581 122.840 121.223 0.060 0.000 2.191 205 L HA 0.017 4.377 4.340 0.034 0.000 0.212 205 L C 2.933 179.850 176.870 0.078 0.000 1.103 205 L CA 1.260 56.143 54.840 0.072 0.000 0.769 205 L CB -0.770 41.344 42.059 0.091 0.000 0.908 205 L HN 0.148 nan 8.230 nan 0.000 0.438 206 S N -1.329 114.407 115.700 0.061 0.000 2.395 206 S HA -0.064 4.426 4.470 0.034 0.000 0.225 206 S C 2.113 176.630 174.600 -0.138 0.000 1.027 206 S CA 0.774 58.979 58.200 0.007 0.000 0.965 206 S CB -0.074 63.100 63.200 -0.044 0.000 0.812 206 S HN 0.201 nan 8.310 nan 0.000 0.482 207 V N 2.387 122.196 119.914 -0.175 0.000 2.295 207 V HA -0.139 4.002 4.120 0.034 0.000 0.246 207 V C 2.063 177.966 176.094 -0.318 0.000 1.049 207 V CA 1.451 63.533 62.300 -0.364 0.000 1.024 207 V CB -0.583 30.979 31.823 -0.436 0.000 0.648 207 V HN 0.458 nan 8.190 nan 0.000 0.447 208 I N -0.691 119.788 120.570 -0.151 0.000 2.264 208 I HA -0.331 3.859 4.170 0.034 0.000 0.248 208 I C 2.443 178.541 176.117 -0.033 0.000 1.111 208 I CA 1.796 63.053 61.300 -0.072 0.000 1.382 208 I CB -0.276 37.724 38.000 0.000 0.000 1.060 208 I HN 0.319 nan 8.210 nan 0.000 0.418 209 M N -0.073 119.539 119.600 0.020 0.000 2.254 209 M HA -0.075 4.426 4.480 0.034 0.000 0.265 209 M C 2.307 178.650 176.300 0.072 0.000 1.066 209 M CA 1.661 57.043 55.300 0.137 0.000 1.123 209 M CB -0.636 32.149 32.600 0.308 0.000 1.388 209 M HN 0.329 nan 8.290 nan 0.000 0.425 210 G N -0.297 108.397 108.800 -0.176 0.000 2.394 210 G HA2 -0.175 3.805 3.960 0.034 0.000 0.214 210 G HA3 -0.175 3.805 3.960 0.034 0.000 0.214 210 G C 1.483 176.168 174.900 -0.357 0.000 1.176 210 G CA 0.779 45.541 45.100 -0.563 0.000 0.786 210 G HN 0.458 nan 8.290 nan 0.000 0.533 211 C N 0.210 119.349 119.300 -0.270 0.000 2.413 211 C HA 0.025 4.505 4.460 0.034 0.000 0.277 211 C C 2.704 177.654 174.990 -0.068 0.000 1.265 211 C CA 1.195 60.119 59.018 -0.157 0.000 1.752 211 C CB -0.623 27.067 27.740 -0.084 0.000 1.998 211 C HN 0.558 nan 8.230 nan 0.000 0.489 212 K N 1.144 121.526 120.400 -0.029 0.000 2.062 212 K HA -0.060 4.280 4.320 0.034 0.000 0.205 212 K C 2.157 178.784 176.600 0.045 0.000 1.051 212 K CA 1.358 57.663 56.287 0.031 0.000 0.941 212 K CB -0.281 32.261 32.500 0.071 0.000 0.719 212 K HN 0.385 nan 8.250 nan 0.000 0.440 213 A N 0.986 123.836 122.820 0.050 0.000 1.972 213 A HA -0.099 4.241 4.320 0.034 0.000 0.219 213 A C 2.250 179.846 177.584 0.020 0.000 1.169 213 A CA 1.804 53.896 52.037 0.091 0.000 0.635 213 A CB -0.646 18.444 19.000 0.150 0.000 0.810 213 A HN 0.479 nan 8.150 nan 0.000 0.446 214 A N -2.085 120.702 122.820 -0.054 0.000 1.929 214 A HA 0.353 4.693 4.320 0.034 0.000 0.216 214 A C 2.001 179.580 177.584 -0.009 0.000 1.176 214 A CA 1.813 53.814 52.037 -0.059 0.000 0.628 214 A CB -0.650 18.274 19.000 -0.128 0.000 0.816 214 A HN 1.818 nan 8.150 nan 0.000 0.444 215 G N -2.745 106.060 108.800 0.008 0.000 2.205 215 G HA2 0.239 4.219 3.960 0.034 0.000 0.180 215 G HA3 0.239 4.219 3.960 0.034 0.000 0.180 215 G C 0.424 175.349 174.900 0.043 0.000 1.004 215 G CA 0.142 45.260 45.100 0.030 0.000 0.670 215 G HN 1.546 nan 8.290 nan 0.000 0.496 216 A N 0.380 123.229 122.820 0.047 0.000 2.598 216 A HA 0.567 4.908 4.320 0.034 0.000 0.239 216 A C 1.675 179.299 177.584 0.065 0.000 1.032 216 A CA 1.471 53.557 52.037 0.082 0.000 0.760 216 A CB 0.382 19.441 19.000 0.099 0.000 0.946 216 A HN 1.833 nan 8.150 nan 0.000 0.512 217 A N 2.654 125.514 122.820 0.067 0.000 2.095 217 A HA 0.250 4.590 4.320 0.034 0.000 0.212 217 A C 1.276 178.888 177.584 0.045 0.000 1.162 217 A CA 0.926 52.993 52.037 0.049 0.000 0.753 217 A CB 0.052 19.078 19.000 0.043 0.000 0.840 217 A HN 0.810 nan 8.150 nan 0.000 0.468 218 R N -0.062 120.472 120.500 0.056 0.000 2.513 218 R HA 0.661 5.021 4.340 0.034 0.000 0.301 218 R C -1.907 174.430 176.300 0.061 0.000 0.968 218 R CA -0.444 55.684 56.100 0.046 0.000 0.872 218 R CB 0.912 31.237 30.300 0.041 0.000 1.177 218 R HN 0.238 nan 8.270 nan 0.000 0.444 219 I N 7.033 127.628 120.570 0.042 0.000 2.517 219 I HA 0.289 4.479 4.170 0.034 0.000 0.280 219 I C -0.486 175.638 176.117 0.012 0.000 1.061 219 I CA -0.590 60.739 61.300 0.049 0.000 1.091 219 I CB 1.751 39.776 38.000 0.042 0.000 1.205 219 I HN 0.509 nan 8.210 nan 0.000 0.459 220 I N 5.194 125.768 120.570 0.006 0.000 2.301 220 I HA 0.343 4.533 4.170 0.034 0.000 0.292 220 I C 0.951 177.019 176.117 -0.083 0.000 1.046 220 I CA -0.216 61.052 61.300 -0.053 0.000 1.282 220 I CB 1.054 39.021 38.000 -0.055 0.000 1.409 220 I HN 0.575 nan 8.210 nan 0.000 0.484 221 G N 5.754 114.480 108.800 -0.123 0.000 2.325 221 G HA2 0.488 4.469 3.960 0.034 0.000 0.298 221 G HA3 0.488 4.469 3.960 0.034 0.000 0.298 221 G C -0.731 174.058 174.900 -0.185 0.000 1.134 221 G CA -0.374 44.658 45.100 -0.113 0.000 0.876 221 G HN 0.478 nan 8.290 nan 0.000 0.452 222 V N 1.788 121.594 119.914 -0.179 0.000 2.540 222 V HA 0.806 4.946 4.120 0.034 0.000 0.302 222 V C -1.564 174.541 176.094 0.019 0.000 1.035 222 V CA -0.876 61.316 62.300 -0.179 0.000 0.873 222 V CB 1.897 33.434 31.823 -0.477 0.000 0.992 222 V HN 0.678 nan 8.190 nan 0.000 0.428 223 D N 3.568 124.091 120.400 0.205 0.000 2.803 223 D HA 0.329 4.989 4.640 0.034 0.000 0.218 223 D C 0.780 177.183 176.300 0.173 0.000 1.245 223 D CA -0.272 53.855 54.000 0.212 0.000 0.821 223 D CB 2.168 43.126 40.800 0.264 0.000 1.626 223 D HN 0.659 nan 8.370 nan 0.000 0.487 224 I N -0.196 120.427 120.570 0.089 0.000 3.176 224 I HA 0.100 4.290 4.170 0.034 0.000 0.275 224 I C 0.559 176.646 176.117 -0.050 0.000 1.298 224 I CA 0.233 61.556 61.300 0.039 0.000 1.445 224 I CB -0.247 37.777 38.000 0.040 0.000 1.075 224 I HN -0.018 nan 8.210 nan 0.000 0.482 225 N N 2.085 120.715 118.700 -0.116 0.000 2.501 225 N HA 0.147 4.907 4.740 0.034 0.000 0.245 225 N C 0.741 175.899 175.510 -0.586 0.000 0.974 225 N CA -0.388 52.520 53.050 -0.236 0.000 0.941 225 N CB 0.892 39.293 38.487 -0.143 0.000 1.122 225 N HN -0.075 nan 8.380 nan 0.000 0.507 226 K N 1.622 121.632 120.400 -0.651 0.000 2.160 226 K HA -0.127 4.213 4.320 0.034 0.000 0.206 226 K C 0.198 176.323 176.600 -0.792 0.000 1.047 226 K CA 1.095 56.767 56.287 -1.025 0.000 0.930 226 K CB 0.028 32.281 32.500 -0.411 0.000 0.720 226 K HN 0.627 nan 8.250 nan 0.000 0.450 227 D N 0.681 120.833 120.400 -0.413 0.000 2.392 227 D HA -0.088 4.573 4.640 0.034 0.000 0.228 227 D C 1.097 177.296 176.300 -0.169 0.000 1.003 227 D CA 0.637 54.504 54.000 -0.221 0.000 0.917 227 D CB 0.218 40.940 40.800 -0.130 0.000 0.890 227 D HN 0.143 nan 8.370 nan 0.000 0.532 228 K N -0.206 120.045 120.400 -0.249 0.000 2.374 228 K HA 0.070 4.410 4.320 0.034 0.000 0.196 228 K C 1.240 177.953 176.600 0.189 0.000 1.023 228 K CA -0.143 56.127 56.287 -0.029 0.000 1.103 228 K CB 0.181 32.685 32.500 0.008 0.000 0.848 228 K HN 0.106 nan 8.250 nan 0.000 0.528 229 F N 1.463 121.415 119.950 0.003 0.000 2.259 229 F HA 0.012 4.559 4.527 0.034 0.000 0.298 229 F C 2.390 178.195 175.800 0.008 0.000 1.088 229 F CA 0.107 58.109 58.000 0.003 0.000 1.358 229 F CB -1.199 37.800 39.000 -0.002 0.000 1.040 229 F HN -0.029 nan 8.300 nan 0.000 0.505 230 A N 0.251 123.180 122.820 0.183 0.000 1.835 230 A HA -0.212 4.128 4.320 0.034 0.000 0.215 230 A C 2.279 179.915 177.584 0.086 0.000 1.199 230 A CA 1.845 53.946 52.037 0.107 0.000 0.615 230 A CB -0.775 18.265 19.000 0.067 0.000 0.838 230 A HN 0.151 nan 8.150 nan 0.000 0.444 231 K N -0.121 120.324 120.400 0.076 0.000 2.000 231 K HA -0.160 4.181 4.320 0.034 0.000 0.218 231 K C 2.167 178.812 176.600 0.076 0.000 1.053 231 K CA 1.952 58.278 56.287 0.065 0.000 0.946 231 K CB -0.863 31.672 32.500 0.058 0.000 0.723 231 K HN 0.424 nan 8.250 nan 0.000 0.446 232 A N 0.825 123.702 122.820 0.095 0.000 1.884 232 A HA -0.328 4.012 4.320 0.034 0.000 0.219 232 A C 2.060 179.683 177.584 0.064 0.000 1.197 232 A CA 2.485 54.573 52.037 0.086 0.000 0.637 232 A CB -0.647 18.418 19.000 0.108 0.000 0.827 232 A HN 0.383 nan 8.150 nan 0.000 0.450 233 K N -1.010 119.428 120.400 0.064 0.000 2.009 233 K HA -0.194 4.147 4.320 0.034 0.000 0.210 233 K C 2.233 178.861 176.600 0.047 0.000 1.049 233 K CA 1.452 57.765 56.287 0.042 0.000 0.929 233 K CB -0.253 32.272 32.500 0.041 0.000 0.714 233 K HN 0.658 nan 8.250 nan 0.000 0.440 234 E N 0.871 121.103 120.200 0.053 0.000 2.130 234 E HA -0.202 4.168 4.350 0.034 0.000 0.196 234 E C 1.836 178.471 176.600 0.059 0.000 0.998 234 E CA 1.162 57.593 56.400 0.051 0.000 0.806 234 E CB 0.143 29.872 29.700 0.049 0.000 0.738 234 E HN 0.064 nan 8.360 nan 0.000 0.459 235 V N -1.020 118.934 119.914 0.067 0.000 2.788 235 V HA 0.007 4.147 4.120 0.034 0.000 0.251 235 V C 1.681 177.824 176.094 0.081 0.000 1.068 235 V CA 1.561 63.910 62.300 0.082 0.000 1.090 235 V CB 0.749 32.624 31.823 0.087 0.000 0.710 235 V HN 0.588 nan 8.190 nan 0.000 0.467 236 G N -1.473 107.365 108.800 0.062 0.000 3.609 236 G HA2 0.064 4.044 3.960 0.034 0.000 0.219 236 G HA3 0.064 4.044 3.960 0.034 0.000 0.219 236 G C 0.451 175.372 174.900 0.036 0.000 0.951 236 G CA 0.060 45.192 45.100 0.054 0.000 0.867 236 G HN 0.676 nan 8.290 nan 0.000 0.478 237 A N 1.612 124.449 122.820 0.028 0.000 2.566 237 A HA 0.472 4.813 4.320 0.034 0.000 0.245 237 A C 1.702 179.286 177.584 -0.001 0.000 1.056 237 A CA 1.637 53.679 52.037 0.007 0.000 0.757 237 A CB 0.110 19.104 19.000 -0.010 0.000 0.979 237 A HN 1.245 nan 8.150 nan 0.000 0.508 238 T N -0.523 114.029 114.554 -0.004 0.000 3.088 238 T HA 0.201 4.571 4.350 0.034 0.000 0.259 238 T C 0.307 174.991 174.700 -0.028 0.000 1.122 238 T CA 0.849 62.946 62.100 -0.005 0.000 1.095 238 T CB -0.516 68.355 68.868 0.005 0.000 0.930 238 T HN 0.984 nan 8.240 nan 0.000 0.508 239 E N -0.689 119.475 120.200 -0.059 0.000 2.472 239 E HA 0.380 4.750 4.350 0.034 0.000 0.290 239 E C -1.802 174.682 176.600 -0.193 0.000 1.059 239 E CA -1.152 55.184 56.400 -0.105 0.000 0.861 239 E CB 0.289 29.944 29.700 -0.076 0.000 1.213 239 E HN 0.208 nan 8.360 nan 0.000 0.425 240 C N 1.468 120.554 119.300 -0.356 0.000 2.454 240 C HA 0.848 5.328 4.460 0.034 0.000 0.336 240 C C 0.040 174.626 174.990 -0.673 0.000 1.189 240 C CA -0.730 57.889 59.018 -0.664 0.000 1.877 240 C CB 0.826 27.738 27.740 -1.380 0.000 2.348 240 C HN 0.604 nan 8.230 nan 0.000 0.508 241 V N 0.626 120.230 119.914 -0.517 0.000 2.482 241 V HA 0.551 4.691 4.120 0.034 0.000 0.295 241 V C -0.695 175.363 176.094 -0.060 0.000 1.026 241 V CA -0.385 61.789 62.300 -0.209 0.000 0.856 241 V CB 1.396 33.223 31.823 0.008 0.000 1.001 241 V HN 0.857 nan 8.190 nan 0.000 0.424 242 N N 6.106 124.846 118.700 0.065 0.000 2.406 242 N HA 0.453 5.213 4.740 0.034 0.000 0.251 242 N C -1.741 173.711 175.510 -0.098 0.000 1.069 242 N CA -2.226 50.934 53.050 0.184 0.000 0.947 242 N CB 1.796 40.428 38.487 0.242 0.000 1.111 242 N HN 0.379 nan 8.380 nan 0.000 0.497 243 P HA -0.123 nan 4.420 nan 0.000 0.219 243 P C 0.457 177.726 177.300 -0.051 0.000 1.146 243 P CA 1.337 64.453 63.100 0.026 0.000 0.808 243 P CB 0.240 32.009 31.700 0.115 0.000 0.779 244 Q N -1.132 118.627 119.800 -0.068 0.000 2.482 244 Q HA -0.070 4.290 4.340 0.034 0.000 0.209 244 Q C 0.968 176.890 176.000 -0.129 0.000 0.961 244 Q CA 0.530 56.297 55.803 -0.060 0.000 0.945 244 Q CB -0.273 28.447 28.738 -0.030 0.000 1.012 244 Q HN 0.350 nan 8.270 nan 0.000 0.515 245 D N -0.293 119.914 120.400 -0.322 0.000 2.234 245 D HA -0.055 4.605 4.640 0.034 0.000 0.205 245 D C 0.090 176.229 176.300 -0.268 0.000 0.962 245 D CA 0.906 54.679 54.000 -0.378 0.000 0.855 245 D CB 0.235 40.680 40.800 -0.592 0.000 0.951 245 D HN 0.133 nan 8.370 nan 0.000 0.500 246 Y N 0.435 120.755 120.300 0.033 0.000 2.408 246 Y HA 0.334 4.905 4.550 0.034 0.000 0.324 246 Y C 1.694 177.608 175.900 0.024 0.000 1.302 246 Y CA -0.743 57.372 58.100 0.025 0.000 1.384 246 Y CB 0.744 39.218 38.460 0.023 0.000 1.367 246 Y HN -0.399 nan 8.280 nan 0.000 0.525 247 K N -0.174 120.352 120.400 0.210 0.000 2.348 247 K HA 0.103 4.443 4.320 0.034 0.000 0.194 247 K C -0.196 176.461 176.600 0.094 0.000 1.052 247 K CA 0.148 56.502 56.287 0.113 0.000 1.004 247 K CB 0.395 32.941 32.500 0.078 0.000 0.873 247 K HN 0.567 nan 8.250 nan 0.000 0.523 248 K N 1.228 121.688 120.400 0.099 0.000 2.106 248 K HA 0.357 4.698 4.320 0.034 0.000 0.246 248 K C -2.832 173.818 176.600 0.084 0.000 0.987 248 K CA -2.105 54.215 56.287 0.054 0.000 0.904 248 K CB 0.256 32.755 32.500 -0.002 0.000 1.071 248 K HN -0.322 nan 8.250 nan 0.000 0.453 249 P HA -0.013 nan 4.420 nan 0.000 0.272 249 P C 0.734 178.090 177.300 0.093 0.000 1.223 249 P CA -0.559 62.587 63.100 0.077 0.000 0.784 249 P CB 0.301 32.029 31.700 0.046 0.000 0.923 250 I N 1.471 122.129 120.570 0.148 0.000 2.179 250 I HA -0.242 3.948 4.170 0.034 0.000 0.242 250 I C 1.994 178.185 176.117 0.123 0.000 1.088 250 I CA 1.757 63.160 61.300 0.172 0.000 1.357 250 I CB -2.213 35.931 38.000 0.239 0.000 1.051 250 I HN 0.429 nan 8.210 nan 0.000 0.409 251 Q N 1.937 121.819 119.800 0.136 0.000 2.197 251 Q HA -0.240 4.121 4.340 0.034 0.000 0.207 251 Q C 1.686 177.698 176.000 0.020 0.000 0.984 251 Q CA 1.728 57.586 55.803 0.092 0.000 0.869 251 Q CB -0.752 28.011 28.738 0.042 0.000 0.906 251 Q HN 0.630 nan 8.270 nan 0.000 0.426 252 E N 0.628 120.830 120.200 0.002 0.000 2.031 252 E HA -0.128 4.243 4.350 0.034 0.000 0.193 252 E C 2.141 178.704 176.600 -0.062 0.000 0.994 252 E CA 1.609 57.989 56.400 -0.033 0.000 0.800 252 E CB -0.162 29.517 29.700 -0.034 0.000 0.752 252 E HN 0.331 nan 8.360 nan 0.000 0.447 253 V N 1.233 121.092 119.914 -0.091 0.000 3.141 253 V HA -0.120 4.021 4.120 0.034 0.000 0.265 253 V C 1.774 177.803 176.094 -0.108 0.000 1.126 253 V CA 0.864 63.058 62.300 -0.177 0.000 1.141 253 V CB -0.173 31.384 31.823 -0.442 0.000 0.743 253 V HN 0.173 nan 8.190 nan 0.000 0.492 254 L N 0.644 121.844 121.223 -0.039 0.000 2.307 254 L HA 0.032 4.393 4.340 0.034 0.000 0.211 254 L C 2.608 179.461 176.870 -0.029 0.000 1.099 254 L CA 2.126 56.955 54.840 -0.018 0.000 0.816 254 L CB -1.346 40.736 42.059 0.038 0.000 0.952 254 L HN 0.584 nan 8.230 nan 0.000 0.455 255 T N -2.622 111.910 114.554 -0.037 0.000 2.851 255 T HA -0.105 4.265 4.350 0.034 0.000 0.262 255 T C 1.679 176.347 174.700 -0.053 0.000 1.043 255 T CA 0.638 62.709 62.100 -0.049 0.000 1.140 255 T CB -0.129 68.705 68.868 -0.056 0.000 0.872 255 T HN 0.231 nan 8.240 nan 0.000 0.446 256 E N 1.210 121.372 120.200 -0.064 0.000 2.023 256 E HA -0.125 4.245 4.350 0.034 0.000 0.196 256 E C 2.276 178.841 176.600 -0.058 0.000 1.003 256 E CA 1.496 57.857 56.400 -0.066 0.000 0.809 256 E CB -0.374 29.274 29.700 -0.086 0.000 0.755 256 E HN 0.450 nan 8.360 nan 0.000 0.449 257 M N 0.573 120.134 119.600 -0.066 0.000 2.082 257 M HA -0.199 4.301 4.480 0.034 0.000 0.258 257 M C 2.470 178.751 176.300 -0.033 0.000 1.069 257 M CA 1.966 57.236 55.300 -0.051 0.000 1.102 257 M CB -0.339 32.230 32.600 -0.052 0.000 1.336 257 M HN 0.095 nan 8.290 nan 0.000 0.404 258 S N -0.787 114.895 115.700 -0.030 0.000 2.561 258 S HA 0.033 4.523 4.470 0.034 0.000 0.225 258 S C 0.234 174.821 174.600 -0.021 0.000 0.977 258 S CA 0.047 58.236 58.200 -0.019 0.000 0.926 258 S CB -0.819 62.370 63.200 -0.018 0.000 0.769 258 S HN 0.625 nan 8.310 nan 0.000 0.533 259 N N 1.125 119.807 118.700 -0.029 0.000 2.610 259 N HA -0.132 4.628 4.740 0.034 0.000 0.271 259 N C 0.454 175.945 175.510 -0.032 0.000 1.146 259 N CA 0.069 53.103 53.050 -0.027 0.000 0.711 259 N CB -1.449 37.029 38.487 -0.016 0.000 0.883 259 N HN 0.868 nan 8.380 nan 0.000 0.548 260 G N -0.745 108.026 108.800 -0.049 0.000 2.168 260 G HA2 0.228 4.208 3.960 0.034 0.000 0.197 260 G HA3 0.228 4.208 3.960 0.034 0.000 0.197 260 G C 0.383 175.222 174.900 -0.103 0.000 0.997 260 G CA 0.182 45.241 45.100 -0.069 0.000 0.658 260 G HN 1.540 nan 8.290 nan 0.000 0.513 261 G N -1.749 107.000 108.800 -0.085 0.000 2.788 261 G HA2 0.386 4.366 3.960 0.034 0.000 0.686 261 G HA3 0.386 4.366 3.960 0.034 0.000 0.686 261 G C 0.348 175.192 174.900 -0.092 0.000 1.147 261 G CA 0.130 45.169 45.100 -0.101 0.000 0.755 261 G HN 1.971 nan 8.290 nan 0.000 0.634 262 V N -0.211 119.664 119.914 -0.065 0.000 3.237 262 V HA 0.421 4.561 4.120 0.034 0.000 0.305 262 V C 1.323 177.352 176.094 -0.108 0.000 1.096 262 V CA 0.841 63.116 62.300 -0.041 0.000 1.130 262 V CB 1.201 33.032 31.823 0.013 0.000 1.048 262 V HN 0.752 nan 8.190 nan 0.000 0.484 263 D N 0.425 120.758 120.400 -0.112 0.000 2.123 263 D HA 0.065 4.725 4.640 0.034 0.000 0.200 263 D C 0.005 175.855 176.300 -0.751 0.000 0.976 263 D CA 1.827 55.602 54.000 -0.375 0.000 0.831 263 D CB 0.143 40.705 40.800 -0.397 0.000 0.974 263 D HN 0.580 nan 8.370 nan 0.000 0.469 264 F N -0.428 119.497 119.950 -0.041 0.000 2.569 264 F HA 0.250 4.797 4.527 0.034 0.000 0.312 264 F C -0.076 175.557 175.800 -0.278 0.000 1.109 264 F CA -1.071 56.801 58.000 -0.214 0.000 0.919 264 F CB 2.065 40.924 39.000 -0.236 0.000 1.211 264 F HN -0.340 nan 8.300 nan 0.000 0.446 265 S N 1.498 117.049 115.700 -0.247 0.000 2.500 265 S HA 0.860 5.350 4.470 0.034 0.000 0.301 265 S C -1.334 173.087 174.600 -0.299 0.000 1.092 265 S CA -0.661 57.476 58.200 -0.105 0.000 1.030 265 S CB 1.308 64.512 63.200 0.008 0.000 1.031 265 S HN 0.371 nan 8.310 nan 0.000 0.483 266 F N 0.830 120.929 119.950 0.249 0.000 2.551 266 F HA 0.563 5.110 4.527 0.034 0.000 0.316 266 F C 0.336 176.295 175.800 0.265 0.000 1.089 266 F CA -0.649 57.471 58.000 0.200 0.000 0.915 266 F CB 1.911 40.992 39.000 0.137 0.000 1.186 266 F HN 0.610 nan 8.300 nan 0.000 0.456 267 E N 2.388 122.801 120.200 0.355 0.000 2.145 267 E HA 0.363 4.733 4.350 0.034 0.000 0.262 267 E C -0.921 175.826 176.600 0.245 0.000 0.883 267 E CA -0.209 56.356 56.400 0.275 0.000 0.748 267 E CB 1.907 31.686 29.700 0.131 0.000 1.140 267 E HN 0.573 nan 8.360 nan 0.000 0.417 268 V N 4.431 124.491 119.914 0.244 0.000 2.804 268 V HA 0.355 4.496 4.120 0.034 0.000 0.360 268 V C 0.413 176.607 176.094 0.166 0.000 1.282 268 V CA -0.112 62.297 62.300 0.182 0.000 1.274 268 V CB -0.564 31.350 31.823 0.151 0.000 1.415 268 V HN 0.613 nan 8.190 nan 0.000 0.610 269 I N 0.612 121.283 120.570 0.168 0.000 3.523 269 I HA 0.623 4.813 4.170 0.034 0.000 0.244 269 I C 1.964 178.157 176.117 0.127 0.000 1.110 269 I CA 0.783 62.172 61.300 0.149 0.000 1.517 269 I CB 0.212 38.309 38.000 0.163 0.000 1.505 269 I HN 0.454 nan 8.210 nan 0.000 0.460 270 G N 1.297 110.166 108.800 0.115 0.000 2.227 270 G HA2 -0.116 3.864 3.960 0.034 0.000 0.168 270 G HA3 -0.116 3.864 3.960 0.034 0.000 0.168 270 G C 0.112 175.057 174.900 0.075 0.000 1.006 270 G CA -0.666 44.491 45.100 0.095 0.000 0.684 270 G HN 0.068 nan 8.290 nan 0.000 0.489 271 R N 0.301 120.847 120.500 0.077 0.000 2.679 271 R HA 0.568 4.928 4.340 0.034 0.000 0.269 271 R C 1.290 177.621 176.300 0.051 0.000 1.076 271 R CA -0.377 55.760 56.100 0.062 0.000 1.160 271 R CB 0.641 30.981 30.300 0.066 0.000 1.054 271 R HN 0.214 nan 8.270 nan 0.000 0.507 272 L N 0.810 122.059 121.223 0.042 0.000 2.202 272 L HA -0.105 4.255 4.340 0.034 0.000 0.205 272 L C 2.064 178.959 176.870 0.042 0.000 1.083 272 L CA 0.926 55.792 54.840 0.044 0.000 0.790 272 L CB -0.409 41.670 42.059 0.034 0.000 0.942 272 L HN 0.707 nan 8.230 nan 0.000 0.452 273 D N -0.554 119.865 120.400 0.031 0.000 2.097 273 D HA -0.200 4.460 4.640 0.034 0.000 0.195 273 D C 1.647 177.944 176.300 -0.006 0.000 0.989 273 D CA 2.010 56.022 54.000 0.020 0.000 0.827 273 D CB -0.563 40.254 40.800 0.028 0.000 0.966 273 D HN 0.197 nan 8.370 nan 0.000 0.456 274 T N 0.575 115.127 114.554 -0.004 0.000 2.915 274 T HA -0.032 4.338 4.350 0.034 0.000 0.269 274 T C 2.088 176.681 174.700 -0.178 0.000 1.071 274 T CA 0.694 62.746 62.100 -0.081 0.000 1.132 274 T CB -0.171 68.703 68.868 0.010 0.000 0.878 274 T HN 0.126 nan 8.240 nan 0.000 0.479 275 M N 0.511 120.087 119.600 -0.039 0.000 2.086 275 M HA -0.105 4.395 4.480 0.034 0.000 0.261 275 M C 2.308 178.616 176.300 0.014 0.000 1.067 275 M CA 1.403 56.735 55.300 0.053 0.000 1.116 275 M CB -0.350 32.359 32.600 0.181 0.000 1.348 275 M HN 0.108 nan 8.290 nan 0.000 0.407 276 V N -0.472 119.429 119.914 -0.021 0.000 2.307 276 V HA -0.243 3.898 4.120 0.034 0.000 0.245 276 V C 2.225 178.179 176.094 -0.233 0.000 1.045 276 V CA 2.198 64.421 62.300 -0.128 0.000 1.024 276 V CB -1.037 30.748 31.823 -0.063 0.000 0.651 276 V HN 0.502 nan 8.190 nan 0.000 0.449 277 T N 0.694 115.118 114.554 -0.217 0.000 2.720 277 T HA -0.228 4.142 4.350 0.034 0.000 0.268 277 T C 2.057 176.516 174.700 -0.402 0.000 1.037 277 T CA 1.761 63.713 62.100 -0.247 0.000 1.144 277 T CB -0.501 68.251 68.868 -0.193 0.000 0.864 277 T HN 0.574 nan 8.240 nan 0.000 0.444 278 A N 0.898 123.306 122.820 -0.687 0.000 1.978 278 A HA -0.003 4.337 4.320 0.034 0.000 0.220 278 A C 2.301 179.684 177.584 -0.335 0.000 1.170 278 A CA 1.119 52.742 52.037 -0.689 0.000 0.636 278 A CB -0.758 17.867 19.000 -0.624 0.000 0.810 278 A HN 0.481 nan 8.150 nan 0.000 0.448 279 L N -0.550 120.427 121.223 -0.410 0.000 2.023 279 L HA -0.102 4.258 4.340 0.034 0.000 0.205 279 L C 2.466 179.122 176.870 -0.357 0.000 1.073 279 L CA 1.674 56.205 54.840 -0.516 0.000 0.745 279 L CB -0.400 41.119 42.059 -0.900 0.000 0.900 279 L HN 0.351 nan 8.230 nan 0.000 0.435 280 S N -0.658 114.862 115.700 -0.301 0.000 2.520 280 S HA -0.192 4.298 4.470 0.034 0.000 0.249 280 S C 1.459 175.974 174.600 -0.141 0.000 0.983 280 S CA 1.158 59.236 58.200 -0.204 0.000 0.958 280 S CB -0.703 62.404 63.200 -0.156 0.000 0.750 280 S HN 0.757 nan 8.310 nan 0.000 0.527 281 C N -0.122 119.108 119.300 -0.117 0.000 3.125 281 C HA 0.587 5.067 4.460 0.034 0.000 0.284 281 C C 1.016 175.960 174.990 -0.075 0.000 1.386 281 C CA -1.567 57.420 59.018 -0.052 0.000 1.763 281 C CB -2.007 25.771 27.740 0.063 0.000 2.377 281 C HN 0.626 nan 8.230 nan 0.000 0.620 282 C N -0.456 118.759 119.300 -0.142 0.000 2.358 282 C HA 0.543 5.024 4.460 0.034 0.000 0.354 282 C C 0.463 175.303 174.990 -0.249 0.000 1.183 282 C CA -0.553 58.360 59.018 -0.176 0.000 2.150 282 C CB 0.604 28.229 27.740 -0.193 0.000 2.361 282 C HN 0.602 nan 8.230 nan 0.000 0.535 283 Q N 1.585 121.185 119.800 -0.333 0.000 2.320 283 Q HA -0.050 4.310 4.340 0.034 0.000 0.311 283 Q C 1.309 177.017 176.000 -0.486 0.000 1.083 283 Q CA 1.094 56.594 55.803 -0.504 0.000 1.001 283 Q CB 0.703 28.854 28.738 -0.978 0.000 1.074 283 Q HN 1.013 nan 8.270 nan 0.000 0.379 284 E N 2.954 122.938 120.200 -0.361 0.000 2.153 284 E HA -0.155 4.215 4.350 0.034 0.000 0.194 284 E C 1.126 177.562 176.600 -0.274 0.000 0.988 284 E CA 1.584 57.820 56.400 -0.272 0.000 0.811 284 E CB -0.088 29.497 29.700 -0.191 0.000 0.746 284 E HN 0.547 nan 8.360 nan 0.000 0.466 285 A N -0.264 122.336 122.820 -0.367 0.000 2.275 285 A HA 0.175 4.515 4.320 0.034 0.000 0.212 285 A C 0.426 177.914 177.584 -0.160 0.000 1.201 285 A CA 0.456 52.356 52.037 -0.228 0.000 0.843 285 A CB -0.400 18.534 19.000 -0.110 0.000 0.873 285 A HN 0.588 nan 8.150 nan 0.000 0.492 286 Y N -5.004 115.234 120.300 -0.103 0.000 3.222 286 Y HA 0.362 4.932 4.550 0.034 0.000 0.304 286 Y C 0.274 176.072 175.900 -0.170 0.000 1.009 286 Y CA -1.297 56.735 58.100 -0.114 0.000 1.298 286 Y CB -0.896 37.501 38.460 -0.105 0.000 1.340 286 Y HN 0.078 nan 8.280 nan 0.000 0.593 287 G N 1.352 109.974 108.800 -0.296 0.000 2.432 287 G HA2 0.509 4.489 3.960 0.034 0.000 0.257 287 G HA3 0.509 4.489 3.960 0.034 0.000 0.257 287 G C -0.944 173.855 174.900 -0.167 0.000 1.238 287 G CA -0.352 44.590 45.100 -0.263 0.000 0.838 287 G HN 0.159 nan 8.290 nan 0.000 0.547 288 V N 1.372 121.193 119.914 -0.154 0.000 2.409 288 V HA 0.525 4.666 4.120 0.034 0.000 0.291 288 V C 0.255 176.310 176.094 -0.066 0.000 1.020 288 V CA -0.765 61.522 62.300 -0.022 0.000 0.848 288 V CB 1.324 33.244 31.823 0.162 0.000 0.990 288 V HN 0.784 nan 8.190 nan 0.000 0.430 289 S N 4.300 119.963 115.700 -0.062 0.000 2.472 289 S HA 0.760 5.250 4.470 0.034 0.000 0.303 289 S C -0.874 173.796 174.600 0.116 0.000 1.099 289 S CA -0.450 57.702 58.200 -0.080 0.000 1.077 289 S CB 1.620 64.704 63.200 -0.194 0.000 1.031 289 S HN 0.480 nan 8.310 nan 0.000 0.487 290 V N 6.276 126.207 119.914 0.029 0.000 2.448 290 V HA 0.469 4.610 4.120 0.034 0.000 0.295 290 V C -0.269 175.952 176.094 0.211 0.000 1.025 290 V CA -0.713 61.675 62.300 0.146 0.000 0.859 290 V CB 1.708 33.640 31.823 0.180 0.000 0.988 290 V HN 0.877 nan 8.190 nan 0.000 0.431 291 I N 5.685 126.353 120.570 0.163 0.000 2.291 291 I HA 0.127 4.317 4.170 0.034 0.000 0.292 291 I C 1.157 177.340 176.117 0.111 0.000 1.064 291 I CA 0.053 61.428 61.300 0.125 0.000 1.269 291 I CB 1.586 39.585 38.000 -0.002 0.000 1.418 291 I HN 0.435 nan 8.210 nan 0.000 0.485 292 V N 6.033 126.042 119.914 0.159 0.000 2.548 292 V HA 0.007 4.147 4.120 0.034 0.000 0.249 292 V C 1.105 177.273 176.094 0.123 0.000 1.055 292 V CA 1.237 63.622 62.300 0.141 0.000 1.065 292 V CB -0.402 31.510 31.823 0.149 0.000 0.681 292 V HN 0.889 nan 8.190 nan 0.000 0.462 293 G N -1.043 107.826 108.800 0.116 0.000 2.720 293 G HA2 0.570 4.550 3.960 0.034 0.000 0.295 293 G HA3 0.570 4.550 3.960 0.034 0.000 0.295 293 G C -1.663 173.289 174.900 0.086 0.000 1.437 293 G CA 0.169 45.336 45.100 0.112 0.000 0.886 293 G HN 0.454 nan 8.290 nan 0.000 0.509 294 V N -0.953 119.002 119.914 0.068 0.000 2.789 294 V HA 0.921 5.061 4.120 0.034 0.000 0.311 294 V C -2.510 173.601 176.094 0.028 0.000 1.073 294 V CA -2.416 59.906 62.300 0.036 0.000 0.921 294 V CB 2.237 34.053 31.823 -0.012 0.000 1.009 294 V HN 0.727 nan 8.190 nan 0.000 0.426 295 P HA 0.286 nan 4.420 nan 0.000 0.267 295 P C -2.235 174.981 177.300 -0.139 0.000 1.205 295 P CA -1.272 61.772 63.100 -0.093 0.000 0.765 295 P CB 0.754 32.413 31.700 -0.068 0.000 0.828 296 P HA -0.092 nan 4.420 nan 0.000 0.239 296 P C 0.427 177.660 177.300 -0.112 0.000 1.184 296 P CA 0.971 63.992 63.100 -0.131 0.000 0.760 296 P CB 0.056 31.693 31.700 -0.105 0.000 0.884 297 D N -1.329 118.990 120.400 -0.134 0.000 2.469 297 D HA -0.008 4.652 4.640 0.034 0.000 0.215 297 D C 0.340 176.606 176.300 -0.056 0.000 1.154 297 D CA -0.062 53.888 54.000 -0.082 0.000 0.832 297 D CB -0.199 40.550 40.800 -0.086 0.000 1.008 297 D HN 0.041 nan 8.370 nan 0.000 0.506 298 S N -0.203 115.463 115.700 -0.057 0.000 2.563 298 S HA 0.094 4.584 4.470 0.034 0.000 0.269 298 S C 0.337 174.920 174.600 -0.029 0.000 1.364 298 S CA -0.148 58.030 58.200 -0.037 0.000 1.010 298 S CB 1.255 64.433 63.200 -0.036 0.000 0.877 298 S HN 0.290 nan 8.310 nan 0.000 0.549 299 Q N 0.055 119.844 119.800 -0.019 0.000 2.962 299 Q HA 0.421 4.781 4.340 0.034 0.000 0.282 299 Q C -0.799 175.193 176.000 -0.014 0.000 1.058 299 Q CA -1.172 54.622 55.803 -0.015 0.000 0.854 299 Q CB 0.596 29.329 28.738 -0.007 0.000 1.441 299 Q HN 0.648 nan 8.270 nan 0.000 0.497 300 N N 1.796 120.490 118.700 -0.009 0.000 2.452 300 N HA 0.155 4.915 4.740 0.034 0.000 0.266 300 N C -0.933 174.582 175.510 0.008 0.000 1.175 300 N CA -0.007 53.040 53.050 -0.006 0.000 0.945 300 N CB 0.238 38.723 38.487 -0.003 0.000 1.063 300 N HN 0.285 nan 8.380 nan 0.000 0.472 301 L N -0.049 121.184 121.223 0.016 0.000 2.326 301 L HA 0.481 4.842 4.340 0.034 0.000 0.278 301 L C 0.648 177.549 176.870 0.051 0.000 1.092 301 L CA -0.265 54.601 54.840 0.043 0.000 0.810 301 L CB 0.870 42.974 42.059 0.076 0.000 1.153 301 L HN 0.164 nan 8.230 nan 0.000 0.439 302 S N 4.820 120.546 115.700 0.043 0.000 2.475 302 S HA 0.769 5.259 4.470 0.034 0.000 0.281 302 S C -0.355 174.271 174.600 0.043 0.000 1.198 302 S CA -0.687 57.535 58.200 0.036 0.000 1.063 302 S CB 0.210 63.422 63.200 0.021 0.000 0.972 302 S HN 0.822 nan 8.310 nan 0.000 0.486 303 M N 5.402 125.030 119.600 0.048 0.000 2.413 303 M HA 0.365 4.866 4.480 0.034 0.000 0.287 303 M C -1.921 174.389 176.300 0.016 0.000 1.186 303 M CA -0.536 54.785 55.300 0.036 0.000 0.927 303 M CB 1.944 34.603 32.600 0.098 0.000 1.715 303 M HN 0.612 nan 8.290 nan 0.000 0.478 304 N N 6.220 124.910 118.700 -0.017 0.000 2.414 304 N HA 0.300 5.061 4.740 0.034 0.000 0.256 304 N C -1.963 173.530 175.510 -0.027 0.000 1.029 304 N CA -1.159 51.880 53.050 -0.020 0.000 0.948 304 N CB 1.684 40.152 38.487 -0.031 0.000 1.102 304 N HN 0.469 nan 8.380 nan 0.000 0.496 305 P HA -0.168 nan 4.420 nan 0.000 0.222 305 P C 1.374 178.657 177.300 -0.028 0.000 1.142 305 P CA 0.727 63.823 63.100 -0.006 0.000 0.788 305 P CB 0.322 32.027 31.700 0.008 0.000 0.767 306 M N -0.232 119.346 119.600 -0.038 0.000 2.144 306 M HA -0.119 4.382 4.480 0.034 0.000 0.260 306 M C 2.126 178.384 176.300 -0.070 0.000 1.067 306 M CA 1.535 56.806 55.300 -0.048 0.000 1.095 306 M CB -1.388 31.183 32.600 -0.047 0.000 1.365 306 M HN -0.154 nan 8.290 nan 0.000 0.406 307 L N -1.181 119.985 121.223 -0.094 0.000 2.129 307 L HA -0.272 4.088 4.340 0.034 0.000 0.212 307 L C 2.009 178.796 176.870 -0.137 0.000 1.087 307 L CA 1.093 55.847 54.840 -0.142 0.000 0.757 307 L CB -0.741 41.195 42.059 -0.206 0.000 0.896 307 L HN 0.362 nan 8.230 nan 0.000 0.434 308 L N -1.570 119.598 121.223 -0.091 0.000 2.354 308 L HA -0.083 4.277 4.340 0.034 0.000 0.212 308 L C 2.342 179.183 176.870 -0.048 0.000 1.091 308 L CA -0.037 54.765 54.840 -0.063 0.000 0.828 308 L CB -0.170 41.884 42.059 -0.009 0.000 0.973 308 L HN 0.196 nan 8.230 nan 0.000 0.461 309 L N 0.082 121.278 121.223 -0.044 0.000 2.042 309 L HA -0.205 4.155 4.340 0.034 0.000 0.210 309 L C 2.565 179.409 176.870 -0.043 0.000 1.076 309 L CA 1.782 56.602 54.840 -0.035 0.000 0.749 309 L CB -0.428 41.612 42.059 -0.032 0.000 0.893 309 L HN 0.113 nan 8.230 nan 0.000 0.432 310 S N -0.078 115.584 115.700 -0.063 0.000 2.402 310 S HA -0.027 4.463 4.470 0.034 0.000 0.233 310 S C 1.383 175.942 174.600 -0.068 0.000 1.030 310 S CA 1.182 59.338 58.200 -0.074 0.000 1.003 310 S CB -0.657 62.479 63.200 -0.106 0.000 0.813 310 S HN 0.849 nan 8.310 nan 0.000 0.477 311 G N 0.711 109.471 108.800 -0.065 0.000 2.245 311 G HA2 -0.113 3.867 3.960 0.034 0.000 0.116 311 G HA3 -0.113 3.867 3.960 0.034 0.000 0.116 311 G C -0.349 174.513 174.900 -0.063 0.000 1.054 311 G CA -0.868 44.205 45.100 -0.044 0.000 0.728 311 G HN 0.320 nan 8.290 nan 0.000 0.483 312 R N 1.035 121.484 120.500 -0.086 0.000 2.207 312 R HA 0.503 4.863 4.340 0.034 0.000 0.334 312 R C -0.047 176.221 176.300 -0.053 0.000 1.013 312 R CA -0.231 55.802 56.100 -0.111 0.000 0.858 312 R CB 0.938 31.131 30.300 -0.178 0.000 1.094 312 R HN 0.171 nan 8.270 nan 0.000 0.457 313 T N 2.879 117.422 114.554 -0.018 0.000 2.897 313 T HA 0.145 4.515 4.350 0.034 0.000 0.294 313 T C -0.900 173.870 174.700 0.118 0.000 1.004 313 T CA 0.002 62.134 62.100 0.053 0.000 1.106 313 T CB 0.672 69.578 68.868 0.063 0.000 0.949 313 T HN 0.381 nan 8.240 nan 0.000 0.520 314 W N 3.606 124.882 121.300 -0.041 0.000 2.619 314 W HA 0.533 5.214 4.660 0.034 0.000 0.327 314 W C -0.887 175.609 176.519 -0.039 0.000 1.027 314 W CA -1.548 55.768 57.345 -0.048 0.000 1.233 314 W CB 0.794 30.223 29.460 -0.052 0.000 1.370 314 W HN 0.539 nan 8.180 nan 0.000 0.453 315 K N 2.977 123.507 120.400 0.217 0.000 2.375 315 K HA 0.822 5.163 4.320 0.034 0.000 0.249 315 K C 0.110 176.677 176.600 -0.055 0.000 0.942 315 K CA -0.871 55.432 56.287 0.027 0.000 0.806 315 K CB 2.514 35.044 32.500 0.050 0.000 1.227 315 K HN 0.527 nan 8.250 nan 0.000 0.430 316 G N 0.115 108.845 108.800 -0.116 0.000 2.685 316 G HA2 0.886 4.867 3.960 0.034 0.000 0.298 316 G HA3 0.886 4.867 3.960 0.034 0.000 0.298 316 G C -1.513 173.339 174.900 -0.079 0.000 1.277 316 G CA -0.742 44.287 45.100 -0.119 0.000 0.986 316 G HN 0.663 nan 8.290 nan 0.000 0.487 317 A N -0.708 122.081 122.820 -0.052 0.000 2.567 317 A HA 0.599 4.939 4.320 0.034 0.000 0.291 317 A C -1.906 175.708 177.584 0.049 0.000 1.048 317 A CA -0.483 51.538 52.037 -0.027 0.000 0.661 317 A CB 1.041 20.025 19.000 -0.026 0.000 1.288 317 A HN 0.665 nan 8.150 nan 0.000 0.424 318 I N 1.418 122.056 120.570 0.113 0.000 2.406 318 I HA 0.490 4.680 4.170 0.034 0.000 0.290 318 I C -0.040 176.262 176.117 0.308 0.000 0.999 318 I CA 0.005 61.473 61.300 0.280 0.000 1.124 318 I CB 1.175 39.429 38.000 0.423 0.000 1.289 318 I HN 1.077 nan 8.210 nan 0.000 0.441 319 F N 6.624 126.685 119.950 0.185 0.000 3.040 319 F HA -0.212 4.336 4.527 0.035 0.000 0.298 319 F C 1.163 177.037 175.800 0.123 0.000 0.948 319 F CA 0.659 58.739 58.000 0.132 0.000 1.022 319 F CB -1.290 37.611 39.000 -0.166 0.000 1.023 319 F HN 0.865 nan 8.300 nan 0.000 0.742 320 G N 0.792 109.569 108.800 -0.038 0.000 2.337 320 G HA2 0.084 4.064 3.960 0.034 0.000 0.290 320 G HA3 0.084 4.064 3.960 0.034 0.000 0.290 320 G C 2.286 176.879 174.900 -0.511 0.000 1.003 320 G CA 1.349 46.278 45.100 -0.284 0.000 0.825 320 G HN 2.488 nan 8.290 nan 0.000 0.509 321 G N -2.196 106.453 108.800 -0.252 0.000 2.205 321 G HA2 -0.280 3.700 3.960 0.034 0.000 0.269 321 G HA3 -0.280 3.700 3.960 0.034 0.000 0.269 321 G C 0.469 175.229 174.900 -0.232 0.000 0.977 321 G CA 0.695 45.666 45.100 -0.216 0.000 0.652 321 G HN 1.082 nan 8.290 nan 0.000 0.539 322 F N 0.283 120.095 119.950 -0.229 0.000 2.450 322 F HA 0.428 4.975 4.527 0.033 0.000 0.339 322 F C 1.279 177.075 175.800 -0.007 0.000 1.146 322 F CA -0.171 57.702 58.000 -0.211 0.000 1.267 322 F CB 0.787 39.470 39.000 -0.528 0.000 1.178 322 F HN -0.118 nan 8.300 nan 0.000 0.585 323 K N 1.893 122.454 120.400 0.269 0.000 2.229 323 K HA 0.122 4.463 4.320 0.034 0.000 0.247 323 K C 1.116 177.849 176.600 0.223 0.000 1.117 323 K CA 0.060 56.465 56.287 0.196 0.000 1.036 323 K CB 0.326 32.907 32.500 0.134 0.000 1.654 323 K HN 0.860 nan 8.250 nan 0.000 0.405 324 S N 2.512 118.416 115.700 0.340 0.000 2.445 324 S HA -0.406 4.084 4.470 0.034 0.000 0.293 324 S C 1.837 176.524 174.600 0.145 0.000 1.163 324 S CA 2.060 60.461 58.200 0.334 0.000 1.287 324 S CB -0.384 62.804 63.200 -0.019 0.000 1.234 324 S HN 0.663 nan 8.310 nan 0.000 0.446 325 K N 0.939 121.374 120.400 0.059 0.000 2.057 325 K HA -0.121 4.219 4.320 0.034 0.000 0.207 325 K C 1.886 178.513 176.600 0.045 0.000 1.049 325 K CA 1.782 58.089 56.287 0.033 0.000 0.931 325 K CB -0.332 32.174 32.500 0.010 0.000 0.714 325 K HN 0.460 nan 8.250 nan 0.000 0.440 326 D N -0.647 119.789 120.400 0.060 0.000 2.103 326 D HA -0.058 4.602 4.640 0.034 0.000 0.199 326 D C 1.903 178.234 176.300 0.051 0.000 0.978 326 D CA 1.110 55.143 54.000 0.056 0.000 0.829 326 D CB -0.072 40.769 40.800 0.068 0.000 0.981 326 D HN 0.062 nan 8.370 nan 0.000 0.464 327 S N -0.290 115.447 115.700 0.060 0.000 2.345 327 S HA -0.071 4.419 4.470 0.034 0.000 0.219 327 S C 2.349 176.894 174.600 -0.092 0.000 1.031 327 S CA 0.436 58.618 58.200 -0.030 0.000 0.984 327 S CB -0.300 62.851 63.200 -0.081 0.000 0.874 327 S HN 0.041 nan 8.310 nan 0.000 0.451 328 V N 3.216 123.125 119.914 -0.008 0.000 2.277 328 V HA -0.201 3.940 4.120 0.034 0.000 0.253 328 V C -0.677 175.426 176.094 0.016 0.000 1.067 328 V CA 2.110 64.423 62.300 0.021 0.000 1.047 328 V CB -1.879 30.002 31.823 0.097 0.000 0.649 328 V HN 0.339 nan 8.190 nan 0.000 0.447 329 P HA -0.153 nan 4.420 nan 0.000 0.215 329 P C 1.667 178.984 177.300 0.028 0.000 1.157 329 P CA 1.502 64.618 63.100 0.028 0.000 0.868 329 P CB -0.053 31.662 31.700 0.025 0.000 0.788 330 K N -1.291 119.118 120.400 0.015 0.000 2.148 330 K HA -0.078 4.263 4.320 0.034 0.000 0.204 330 K C 1.838 178.466 176.600 0.047 0.000 1.050 330 K CA 0.939 57.242 56.287 0.027 0.000 0.942 330 K CB -0.677 31.841 32.500 0.030 0.000 0.724 330 K HN -0.014 nan 8.250 nan 0.000 0.446 331 L N 0.288 121.512 121.223 0.001 0.000 2.017 331 L HA -0.154 4.207 4.340 0.034 0.000 0.208 331 L C 2.145 179.157 176.870 0.236 0.000 1.073 331 L CA 1.412 56.306 54.840 0.091 0.000 0.745 331 L CB -0.941 41.063 42.059 -0.092 0.000 0.894 331 L HN -0.037 nan 8.230 nan 0.000 0.432 332 V N 0.039 120.036 119.914 0.138 0.000 2.231 332 V HA -0.354 3.786 4.120 0.034 0.000 0.248 332 V C 2.766 178.928 176.094 0.112 0.000 1.054 332 V CA 1.850 64.242 62.300 0.153 0.000 1.015 332 V CB -1.234 30.651 31.823 0.103 0.000 0.638 332 V HN 0.515 nan 8.190 nan 0.000 0.444 333 A N -0.266 122.586 122.820 0.053 0.000 1.917 333 A HA -0.319 4.021 4.320 0.034 0.000 0.219 333 A C 1.981 179.532 177.584 -0.055 0.000 1.182 333 A CA 2.329 54.366 52.037 0.000 0.000 0.633 333 A CB -0.734 18.270 19.000 0.007 0.000 0.819 333 A HN 0.592 nan 8.150 nan 0.000 0.448 334 D N -1.202 119.175 120.400 -0.039 0.000 2.097 334 D HA -0.134 4.526 4.640 0.034 0.000 0.195 334 D C 1.631 177.649 176.300 -0.470 0.000 0.989 334 D CA 1.453 55.365 54.000 -0.148 0.000 0.827 334 D CB -0.528 40.300 40.800 0.047 0.000 0.966 334 D HN 0.483 nan 8.370 nan 0.000 0.456 335 F N 1.234 120.686 119.950 -0.829 0.000 2.126 335 F HA -0.175 4.373 4.527 0.034 0.000 0.299 335 F C 2.056 177.585 175.800 -0.451 0.000 1.096 335 F CA 1.214 58.636 58.000 -0.963 0.000 1.255 335 F CB -0.266 38.421 39.000 -0.521 0.000 0.997 335 F HN -0.169 nan 8.300 nan 0.000 0.479 336 M N 0.317 119.674 119.600 -0.404 0.000 2.374 336 M HA -0.000 4.500 4.480 0.034 0.000 0.264 336 M C 2.164 178.260 176.300 -0.339 0.000 1.067 336 M CA 1.239 56.287 55.300 -0.420 0.000 1.103 336 M CB -1.777 30.717 32.600 -0.177 0.000 1.402 336 M HN 0.346 nan 8.290 nan 0.000 0.444 337 A N -0.575 122.073 122.820 -0.287 0.000 2.238 337 A HA 0.036 4.376 4.320 0.034 0.000 0.208 337 A C 1.143 178.593 177.584 -0.222 0.000 1.177 337 A CA 0.429 52.343 52.037 -0.204 0.000 0.804 337 A CB -0.240 18.677 19.000 -0.137 0.000 0.823 337 A HN 0.439 nan 8.150 nan 0.000 0.482 338 K N -1.670 118.533 120.400 -0.328 0.000 3.291 338 K HA -0.171 4.170 4.320 0.034 0.000 0.290 338 K C 0.642 177.126 176.600 -0.193 0.000 1.235 338 K CA 1.430 57.551 56.287 -0.275 0.000 0.848 338 K CB -1.793 30.596 32.500 -0.185 0.000 1.295 338 K HN 0.713 nan 8.250 nan 0.000 0.497 339 K N -0.454 119.796 120.400 -0.251 0.000 2.521 339 K HA 0.227 4.567 4.320 0.034 0.000 0.182 339 K C 0.843 177.417 176.600 -0.043 0.000 1.096 339 K CA 0.457 56.676 56.287 -0.113 0.000 1.167 339 K CB -0.266 32.185 32.500 -0.081 0.000 1.596 339 K HN 0.170 nan 8.250 nan 0.000 0.467 340 F N 0.630 120.656 119.950 0.126 0.000 2.539 340 F HA 0.364 4.911 4.527 0.033 0.000 0.340 340 F C -0.031 175.851 175.800 0.136 0.000 1.185 340 F CA -1.295 56.788 58.000 0.139 0.000 1.333 340 F CB 0.157 39.271 39.000 0.190 0.000 1.152 340 F HN 0.130 nan 8.300 nan 0.000 0.602 341 A N 2.636 125.660 122.820 0.339 0.000 2.356 341 A HA 0.721 5.061 4.320 0.034 0.000 0.323 341 A C -0.172 177.497 177.584 0.141 0.000 1.119 341 A CA -0.904 51.297 52.037 0.274 0.000 0.790 341 A CB 1.243 20.340 19.000 0.162 0.000 1.273 341 A HN 0.983 nan 8.150 nan 0.000 0.452 342 L N 0.381 121.624 121.223 0.033 0.000 2.731 342 L HA 0.131 4.491 4.340 0.034 0.000 0.240 342 L C 0.955 177.781 176.870 -0.074 0.000 1.120 342 L CA 0.261 54.983 54.840 -0.195 0.000 0.913 342 L CB 0.026 41.766 42.059 -0.532 0.000 1.213 342 L HN 0.807 nan 8.230 nan 0.000 0.515 343 D N 1.387 121.793 120.400 0.010 0.000 2.092 343 D HA -0.172 4.488 4.640 0.034 0.000 0.193 343 D C -0.791 175.510 176.300 0.001 0.000 0.994 343 D CA 1.405 55.411 54.000 0.011 0.000 0.828 343 D CB -1.255 39.566 40.800 0.035 0.000 0.963 343 D HN 0.228 nan 8.370 nan 0.000 0.450 344 P HA -0.134 nan 4.420 nan 0.000 0.224 344 P C 1.089 178.397 177.300 0.013 0.000 1.142 344 P CA 1.031 64.142 63.100 0.019 0.000 0.778 344 P CB -0.026 31.700 31.700 0.043 0.000 0.764 345 L N -1.440 119.789 121.223 0.009 0.000 2.298 345 L HA 0.150 4.510 4.340 0.034 0.000 0.209 345 L C 1.495 178.359 176.870 -0.010 0.000 1.084 345 L CA 0.149 54.996 54.840 0.013 0.000 0.816 345 L CB -0.380 41.697 42.059 0.030 0.000 0.967 345 L HN -0.179 nan 8.230 nan 0.000 0.460 346 I N 0.703 121.257 120.570 -0.027 0.000 2.311 346 I HA -0.031 4.159 4.170 0.034 0.000 0.297 346 I C 1.242 177.318 176.117 -0.069 0.000 1.131 346 I CA 0.195 61.472 61.300 -0.037 0.000 1.289 346 I CB 0.840 38.819 38.000 -0.035 0.000 1.446 346 I HN -0.036 nan 8.210 nan 0.000 0.524 347 T N 4.217 118.711 114.554 -0.099 0.000 3.040 347 T HA 0.173 4.543 4.350 0.034 0.000 0.250 347 T C 0.095 174.486 174.700 -0.515 0.000 1.058 347 T CA 0.495 62.441 62.100 -0.256 0.000 0.988 347 T CB -0.157 68.584 68.868 -0.211 0.000 0.993 347 T HN 0.620 nan 8.240 nan 0.000 0.519 348 H N -1.128 117.922 119.070 -0.034 0.000 3.085 348 H HA 0.566 5.144 4.556 0.035 0.000 0.356 348 H C -1.639 173.658 175.328 -0.051 0.000 1.178 348 H CA -0.814 55.209 56.048 -0.043 0.000 1.214 348 H CB 2.050 31.780 29.762 -0.053 0.000 1.881 348 H HN -0.039 nan 8.280 nan 0.000 0.538 349 V N 4.248 124.216 119.914 0.089 0.000 2.577 349 V HA 0.424 4.565 4.120 0.034 0.000 0.303 349 V C -0.764 175.329 176.094 -0.001 0.000 1.042 349 V CA -0.522 61.788 62.300 0.017 0.000 0.872 349 V CB 1.793 33.618 31.823 0.004 0.000 0.998 349 V HN 0.483 nan 8.190 nan 0.000 0.423 350 L N 6.525 127.719 121.223 -0.049 0.000 2.401 350 L HA 0.600 4.961 4.340 0.034 0.000 0.266 350 L C -2.429 174.381 176.870 -0.100 0.000 0.991 350 L CA -1.936 52.859 54.840 -0.074 0.000 0.818 350 L CB 3.540 45.533 42.059 -0.110 0.000 1.321 350 L HN 0.408 nan 8.230 nan 0.000 0.413 351 P HA -0.084 nan 4.420 nan 0.000 0.265 351 P C 0.726 177.955 177.300 -0.118 0.000 1.193 351 P CA 0.021 63.076 63.100 -0.075 0.000 0.765 351 P CB 0.489 32.166 31.700 -0.039 0.000 0.823 352 F N 3.908 123.649 119.950 -0.348 0.000 2.176 352 F HA -0.288 4.255 4.527 0.027 0.000 0.301 352 F C 1.721 177.354 175.800 -0.278 0.000 1.071 352 F CA 1.836 59.563 58.000 -0.455 0.000 1.289 352 F CB -0.256 38.306 39.000 -0.730 0.000 1.028 352 F HN 0.242 nan 8.300 nan 0.000 0.494 353 E N 0.443 120.548 120.200 -0.158 0.000 2.153 353 E HA -0.207 4.163 4.350 0.034 0.000 0.194 353 E C 1.646 178.079 176.600 -0.278 0.000 0.988 353 E CA 1.128 57.403 56.400 -0.208 0.000 0.811 353 E CB -0.498 29.177 29.700 -0.042 0.000 0.746 353 E HN 0.323 nan 8.360 nan 0.000 0.466 354 K N 1.162 121.420 120.400 -0.237 0.000 2.589 354 K HA 0.150 4.490 4.320 0.034 0.000 0.204 354 K C 1.533 177.983 176.600 -0.250 0.000 1.029 354 K CA -0.175 55.993 56.287 -0.197 0.000 1.177 354 K CB -0.527 31.887 32.500 -0.143 0.000 0.902 354 K HN 0.145 nan 8.250 nan 0.000 0.501 355 I N 0.400 120.719 120.570 -0.419 0.000 2.069 355 I HA -0.455 3.735 4.170 0.034 0.000 0.237 355 I C 1.383 177.430 176.117 -0.117 0.000 1.053 355 I CA 1.622 62.653 61.300 -0.448 0.000 1.311 355 I CB 0.010 37.477 38.000 -0.888 0.000 1.030 355 I HN 0.404 nan 8.210 nan 0.000 0.398 356 N N 0.588 119.232 118.700 -0.094 0.000 2.334 356 N HA -0.264 4.497 4.740 0.034 0.000 0.187 356 N C 1.676 177.223 175.510 0.061 0.000 1.016 356 N CA 1.447 54.526 53.050 0.049 0.000 0.879 356 N CB -0.249 38.238 38.487 0.000 0.000 0.965 356 N HN 0.584 nan 8.380 nan 0.000 0.438 357 E N -0.002 120.187 120.200 -0.019 0.000 2.122 357 E HA -0.034 4.336 4.350 0.034 0.000 0.190 357 E C 1.921 178.492 176.600 -0.049 0.000 0.977 357 E CA 0.505 56.880 56.400 -0.042 0.000 0.820 357 E CB -0.021 29.630 29.700 -0.082 0.000 0.770 357 E HN 0.310 nan 8.360 nan 0.000 0.462 358 G N 0.187 108.948 108.800 -0.065 0.000 2.422 358 G HA2 -0.229 3.752 3.960 0.034 0.000 0.218 358 G HA3 -0.229 3.752 3.960 0.034 0.000 0.218 358 G C 1.200 176.020 174.900 -0.132 0.000 1.140 358 G CA 0.300 45.317 45.100 -0.138 0.000 0.775 358 G HN 0.167 nan 8.290 nan 0.000 0.545 359 F N 1.663 121.556 119.950 -0.095 0.000 2.113 359 F HA 0.007 4.561 4.527 0.044 0.000 0.297 359 F C 2.449 178.228 175.800 -0.036 0.000 1.103 359 F CA 1.421 59.403 58.000 -0.030 0.000 1.248 359 F CB -0.216 38.814 39.000 0.049 0.000 0.999 359 F HN 0.057 nan 8.300 nan 0.000 0.475 360 D N 0.276 120.752 120.400 0.127 0.000 2.158 360 D HA -0.191 4.469 4.640 0.034 0.000 0.197 360 D C 2.429 178.724 176.300 -0.008 0.000 0.995 360 D CA 1.118 55.145 54.000 0.045 0.000 0.846 360 D CB -0.658 40.149 40.800 0.012 0.000 0.941 360 D HN 0.235 nan 8.370 nan 0.000 0.456 361 L N -0.070 121.120 121.223 -0.056 0.000 2.017 361 L HA -0.162 4.198 4.340 0.034 0.000 0.208 361 L C 2.350 179.180 176.870 -0.067 0.000 1.073 361 L CA 0.644 55.425 54.840 -0.099 0.000 0.745 361 L CB -0.286 41.654 42.059 -0.199 0.000 0.894 361 L HN 0.083 nan 8.230 nan 0.000 0.432 362 L N -0.349 120.822 121.223 -0.087 0.000 1.976 362 L HA -0.227 4.134 4.340 0.034 0.000 0.209 362 L C 2.692 179.546 176.870 -0.026 0.000 1.071 362 L CA 1.733 56.522 54.840 -0.084 0.000 0.746 362 L CB -0.528 41.422 42.059 -0.183 0.000 0.890 362 L HN 0.073 nan 8.230 nan 0.000 0.432 363 R N -0.581 119.925 120.500 0.010 0.000 2.115 363 R HA -0.082 4.278 4.340 0.034 0.000 0.239 363 R C 0.494 176.808 176.300 0.023 0.000 1.133 363 R CA 1.567 57.689 56.100 0.037 0.000 0.935 363 R CB -0.618 29.724 30.300 0.069 0.000 0.853 363 R HN 0.369 nan 8.270 nan 0.000 0.433 364 S N 0.016 115.724 115.700 0.013 0.000 2.528 364 S HA 0.492 4.983 4.470 0.034 0.000 0.303 364 S C -0.196 174.404 174.600 0.001 0.000 1.123 364 S CA 0.014 58.219 58.200 0.008 0.000 1.138 364 S CB 1.560 64.763 63.200 0.007 0.000 0.984 364 S HN 0.700 nan 8.310 nan 0.000 0.474 365 G N 2.434 111.237 108.800 0.005 0.000 2.592 365 G HA2 -0.111 3.869 3.960 0.034 0.000 0.684 365 G HA3 -0.111 3.869 3.960 0.034 0.000 0.684 365 G C -0.780 174.125 174.900 0.009 0.000 1.291 365 G CA -0.914 44.189 45.100 0.005 0.000 0.891 365 G HN 0.645 nan 8.290 nan 0.000 0.544 366 E N -0.563 119.647 120.200 0.016 0.000 2.316 366 E HA 0.500 4.870 4.350 0.034 0.000 0.275 366 E C -0.244 176.392 176.600 0.059 0.000 1.029 366 E CA 0.313 56.729 56.400 0.028 0.000 0.871 366 E CB 0.845 30.556 29.700 0.019 0.000 1.022 366 E HN 1.281 nan 8.360 nan 0.000 0.418 367 S N 6.628 122.366 115.700 0.063 0.000 2.461 367 S HA 0.170 4.660 4.470 0.034 0.000 0.245 367 S C 0.798 175.436 174.600 0.064 0.000 1.039 367 S CA -0.847 57.429 58.200 0.126 0.000 1.077 367 S CB 0.170 63.431 63.200 0.102 0.000 1.171 367 S HN 0.568 nan 8.310 nan 0.000 0.433 368 I N 2.323 122.920 120.570 0.045 0.000 2.053 368 I HA -0.041 4.149 4.170 0.034 0.000 0.227 368 I C 1.335 177.466 176.117 0.024 0.000 1.017 368 I CA 1.479 62.797 61.300 0.030 0.000 1.315 368 I CB -0.731 37.281 38.000 0.020 0.000 1.036 368 I HN 0.640 nan 8.210 nan 0.000 0.386 369 R N 0.563 121.073 120.500 0.018 0.000 2.513 369 R HA 0.369 4.730 4.340 0.034 0.000 0.301 369 R C -1.254 175.052 176.300 0.011 0.000 0.968 369 R CA -0.254 55.849 56.100 0.005 0.000 0.872 369 R CB 1.151 31.454 30.300 0.005 0.000 1.177 369 R HN 0.130 nan 8.270 nan 0.000 0.444 370 T N 5.750 120.296 114.554 -0.013 0.000 2.744 370 T HA 0.445 4.816 4.350 0.034 0.000 0.291 370 T C -0.185 174.488 174.700 -0.046 0.000 0.957 370 T CA -0.409 61.684 62.100 -0.011 0.000 1.002 370 T CB 0.445 69.265 68.868 -0.081 0.000 0.919 370 T HN 0.294 nan 8.240 nan 0.000 0.468 371 I N 4.280 124.833 120.570 -0.027 0.000 2.321 371 I HA 0.329 4.519 4.170 0.034 0.000 0.291 371 I C -0.247 175.832 176.117 -0.063 0.000 0.998 371 I CA -1.120 60.161 61.300 -0.031 0.000 1.227 371 I CB 1.073 39.064 38.000 -0.015 0.000 1.368 371 I HN 0.392 nan 8.210 nan 0.000 0.466 372 L N 6.849 128.016 121.223 -0.094 0.000 2.292 372 L HA 0.429 4.789 4.340 0.034 0.000 0.284 372 L C 0.640 177.379 176.870 -0.218 0.000 1.065 372 L CA 0.032 54.765 54.840 -0.179 0.000 0.806 372 L CB 1.321 43.229 42.059 -0.252 0.000 1.175 372 L HN 0.722 nan 8.230 nan 0.000 0.431 373 T N 0.393 114.817 114.554 -0.216 0.000 2.895 373 T HA 0.700 5.070 4.350 0.034 0.000 0.283 373 T C -0.049 174.477 174.700 -0.290 0.000 1.014 373 T CA -0.567 61.428 62.100 -0.175 0.000 1.037 373 T CB 1.096 69.936 68.868 -0.045 0.000 1.006 373 T HN 0.102 nan 8.240 nan 0.000 0.468 374 F N 0.000 119.943 119.950 -0.012 0.000 2.286 374 F HA 0.000 4.543 4.527 0.027 0.000 0.279 374 F CA 0.000 57.957 58.000 -0.071 0.000 1.383 374 F CB 0.000 38.891 39.000 -0.182 0.000 1.145 374 F HN 0.000 nan 8.300 nan 0.000 0.574